Name: Name:4-(5-amino-3-methyl-1H-1,2,4-triazol-1-yl)benzonitrile
Brand: Angene
SKU: AG01AJXO
Rating: 90 (10 reviews)

4-(5-amino-3-methyl-1H-1,2,4-triazol-1-yl)benzonitrile

CAS No.:

1247616-92-7

Catalog Number:

AG01AJXO

Molecular Formula:

C10H9N5

Molecular Weight:

199.2120

Catalog Number:

AG01AJXO

Chemical Name:

4-(5-amino-3-methyl-1H-1,2,4-triazol-1-yl)benzonitrile

CAS Number:

1247616-92-7

Molecular Formula:

C10H9N5

Molecular Weight:

199.2120

MDL Number:

MFCD16845194

IUPAC Name:

4-(5-amino-3-methyl-1,2,4-triazol-1-yl)benzonitrile

InChI:

InChI=1S/C10H9N5/c1-7-13-10(12)15(14-7)9-4-2-8(6-11)3-5-9/h2-5H,1H3,(H2,12,13,14)

InChI Key:

VAFTWFWGBQBSNV-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1)n1nc(nc1N)C

Complexity:

262

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

199.086g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

199.217g/mol

Monoisotopic Mass:

199.086g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4