Name: Name:4-(5-amino-4H-1,2,4-triazol-3-yl)benzonitrile
Brand: Angene
SKU: AG00AU9B
Rating: 90 (10 reviews)

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

CAS No.:

168893-26-3

Catalog Number:

AG00AU9B

Molecular Formula:

C9H7N5

Molecular Weight:

185.1854

Catalog Number:

AG00AU9B

Chemical Name:

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

CAS Number:

168893-26-3

Molecular Formula:

C9H7N5

Molecular Weight:

185.1854

MDL Number:

MFCD09811672

IUPAC Name:

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

InChI:

InChI=1S/C9H7N5/c10-5-6-1-3-7(4-2-6)8-12-9(11)14-13-8/h1-4H,(H3,11,12,13,14)

InChI Key:

WIHAZVZBOZFDFD-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1)c1nnc([nH]1)N

Complexity:

237

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

185.07g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

185.19g/mol

Monoisotopic Mass:

185.07g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: