Name: Name:4-(3-amino-1H-1,2,4-triazol-1-yl)benzonitrile
Brand: Angene
SKU: AG01A1OO
Rating: 90 (10 reviews)

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

CAS No.:

1249222-99-8

Catalog Number:

AG01A1OO

Molecular Formula:

C9H7N5

Molecular Weight:

185.1854

Catalog Number:

AG01A1OO

Chemical Name:

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

CAS Number:

1249222-99-8

Molecular Formula:

C9H7N5

Molecular Weight:

185.1854

MDL Number:

MFCD14594805

IUPAC Name:

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

InChI:

InChI=1S/C9H7N5/c10-5-7-1-3-8(4-2-7)14-6-12-9(11)13-14/h1-4,6H,(H2,11,13)

InChI Key:

NLYLKDLZPSAKAZ-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1)n1cnc(n1)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:

80.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: