AG00BIOY

21254-23-9 | 1H-Pyrazole-4-carbonitrile,5-amino-1-(1-methylethyl)-(9CI)

AG00BIOY

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CAS Number	21254-23-9
Catalog Number	AG00BIOY(AGN-PC-0QXSIQ)
Chemical Name	1H-Pyrazole-4-carbonitrile,5-amino-1-(1-methylethyl)-(9CI)
IUPAC Name	5-amino-1-propan-2-ylpyrazole-4-carbonitrile
InChI	InChI=1S/C7H10N4/c1-5(2)11-7(9)6(3-8)4-10-11/h4-5H,9H2,1-2H3
InChI Key	HWLUYAARRNLXJL-UHFFFAOYSA-N
MDL Number	MFCD12405830
Molecular Formula	C7H10N4
Molecular Weight	150.1811
SMILES	N#CC1=C(N)N(C(C)C)N=C1
Synonyms	5-amino-1-isopropyl-1H-pyrazole-4-carbonitrile, 21254-23-9, SCHEMBL55228, 1H-Pyrazole-4-carbonitrile, 5-amino-1-(1-methylethyl)-, DTXSID30591774, HWLUYAARRNLXJL-UHFFFAOYSA-N, MFCD12405830, ZINC33358837, AKOS010517254, AJ-85862, AS-41815, DB-066462, ST2406052, 4CH-018447, FT-0659707, 5-amino-1-propan-2-yl-4-pyrazolecarbonitrile, 5-amino-1-propan-2-ylpyrazole-4-carbonitrile, 5-azanyl-1-propan-2-yl-pyrazole-4-carbonitrile, A815222, S05-0028, 5-Amino-1-(propan-2-yl)-1H-pyrazole-4-carbonitrile,

Complexity	180
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	150.091g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	150.185g/mol
Monoisotopic Mass	150.091g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	67.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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