AG01CBL3

27314-97-2 | 1,2,4-Benzotriazin-3-amine, 1,4-dioxide

AG01CBL3

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CAS Number	27314-97-2
Catalog Number	AG01CBL3(AGN-PC-0O8HW1)
Chemical Name	1,2,4-Benzotriazin-3-amine, 1,4-dioxide
IUPAC Name	1,4-dioxido-1,2,4-benzotriazine-1,4-diium-3-amine
InChI	InChI=1S/C7H6N4O2/c8-7-9-11(13)6-4-2-1-3-5(6)10(7)12/h1-4H,(H2,8,9)
InChI Key	ORYDPOVDJJZGHQ-UHFFFAOYSA-N
MDL Number	MFCD00132954
Molecular Formula	C7H6N4O2
Molecular Weight	178.1481
SMILES	Nc1n[n+]([O-])c2c([n+]1[O-])cccc2
UNII	1UD32YR59G
Synonyms	3-amino-1,2,4-benzotriazine-1,4-dioxide, NSC 130181, SR 4233, SR-4233, SR4233, tirapazamine, Tirazone, WIN 59075, WIN-59075, WIN59075, TIRAPAZAMINE, 27314-97-2, Tirazone, 3-Amino-1,2,4-benzotriazine 1,4-dioxide, 3-Aminobenzo[e][1,2,4]triazine 1,4-dioxide, Win-59075, 1,2,4-Benzotriazin-3-amine, 1,4-dioxide, SR 4233, SR-4233, WIN 59075, Tirapazamine [USAN:INN], 3-Amino-1,2,4-benzotriazine-1,4-dioxide, UNII-1UD32YR59G, CHEBI:78887, 1,2,4-benzotriazin-3-amine,1,4-dioxide, BRN 0179322, 1,2,4-Benzotriazin-3-amine 1,4-Dioxide, 1UD32YR59G, C7H6N4O2, 4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-imine, SR 259075, 1,2,4-Benzotriazine, 3-amino-, 1,4-dioxide, SR4233, NSC 130181, SR-259075, Tirapazamine (USAN/INN), AC1L1Q8I, SCHEMBL4048, SCHEMBL4049, 4-26-00-01120 (Beilstein Handbook Reference), CHEMBL50882, SCHEMBL872285, CTK4F9457, Tirapazamine, >=98% (HPLC), ORYDPOVDJJZGHQ-UHFFFAOYSA-N, BCP03663, ZINC1607808, AN-556, BDBM50226806, FCH839658, AKOS006271584, API0004429, CS-2781, DB04858, QC-4587, KS-0000185B, 4CA-1255, BC228150, HY-13767, LS-41511, SR259075, BCP0726000167, AB0020793, AX8083649, FT-0661586, V1806, D06167, J-016728, 3-AMINO-1,2,4-BENZOTRIAZINE-1,4-DIIUM-1,4-BIS(OLATE), D09XQU, Win59075, C7-H6-N4-O2, CID33776, NSC-130181, SR-4317, SR-4330, SR-4482, B3399, A12754, 3-amino-1,2,4-benzothiadi- azine 1,1-dioxide, C049947, D000077704, TPZ,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.049g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.151g/mol
Monoisotopic Mass	178.049g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	89.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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