AG001RNH

160098-96-4 | 4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-7-amine

AG001RNH

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CAS Number	160098-96-4
Catalog Number	AG001RNH(AGN-PC-0JNE07)
Chemical Name	4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-7-amine
IUPAC Name	4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
InChI	InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)
InChI Key	UTLPKQYUXOEJIL-UHFFFAOYSA-N
MDL Number	MFCD00933778
Molecular Formula	C18H15N7O
Molecular Weight	345.3580
SMILES	NC1=NC(N(CCC2=CC=CC=C2)N=C3)=C3C4=NC(C5=CC=CO5)=NN14
UNII	4309023MAH
Synonyms	5-amino-7-(2-phenylethyl)-2-(2-furyl)pyrazolo(4,3-e)-1,2,4-triazolo(1,5-c)pyrimidine, APE-FPTP, SCH 58261, SCH-58261, SCH58261, Sch 58261, 160098-96-4, Sch-58261, Sch58261, 2-(Furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine, UNII-4309023MAH, CHEMBL17127, MFCD00933778, 4309023MAH, 2-(2-Furanyl)-7-(2-phenylethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine, 7-(2-phenylethyl)-5-amino-2-(2-furyl)-pyrazolo-[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine, 2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine, 5-Amino-7-(2-phenylethyl)-2-(2-furyl)-pyrazolo(4,3-e)-1,2,4-triazolo(1,5-c)pyrimidine, 4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-7-amine, 7H-Pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidin-5-amine, 2-(2-furanyl)-7-(2-phenylethyl)-, UTLPKQYUXOEJIL-UHFFFAOYSA-N, 7H-Pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine, 2-(2-furanyl)-7-(2-phenylethyl)-, [3H]SCH 58261, GTPL403, GTPL431, SCHEMBL537287, AC1L423J, ZINC6170, CHEBI:93424, CTK8E9527, AOB5053, DTXSID80166799, HMS3263L20, HMS3268F20, HMS3677A10, BCP14638, EX-A1464, KS-00000H1R, Tox21_501259, BDBM50048466, BN0475, PDSP1_001199, PDSP2_001183, s8104, SP-341, AKOS022181216, [3H]-SCH 58261, CCG-222563, CS-5639, LP01259, NCGC00092350-01, NCGC00092350-02, NCGC00261944-01, AJ-08272, AK-60772, AN-17000, AS-16830, HY-19533, ZB000632, DB-043446, LS-184256, RT-015677, B6995, FT-0643554, ST24039655, SCH 58261, >=98% (HPLC), solid, C-35635, L000548, J-009674, BRD-K81225797-001-01-5, 5-amino-7-(phenylethyl)-2-(2-furyl)-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine, 2-(2-Furanyl)-7-(2-phenylethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo [1,5-c]pyrimidin-5-amine, 2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 58261), 4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6]dodeca-1(9),2,4,7,11-pentaen-7-amine, APE-FPTP, D07ESH, D0J8LD, D0S6KU, C18H15N7O, C18-H15-N7-O, CID176408, PF-1913539, A15886, C098657, 5-amino-7-(2-phenylethyl)-2-(2-furyl)pyrazolo(4,3-e)-1,2,4-triazolo(1,5-c)pyrimidine,

Complexity	488
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	345.134g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	345.366g/mol
Monoisotopic Mass	345.134g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	100A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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