Name: Name:4-[(3-amino-1H-1,2,4-triazol-1-yl)methyl]benzonitrile
Brand: Angene
SKU: AG019TWV
Rating: 90 (10 reviews)

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

CAS No.:

1183360-25-9

Catalog Number:

AG019TWV

Molecular Formula:

C10H9N5

Molecular Weight:

199.2120

Catalog Number:

AG019TWV

Chemical Name:

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

CAS Number:

1183360-25-9

Molecular Formula:

C10H9N5

Molecular Weight:

199.2120

MDL Number:

MFCD12766716

IUPAC Name:

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

InChI:

InChI=1S/C10H9N5/c11-5-8-1-3-9(4-2-8)6-15-7-13-10(12)14-15/h1-4,7H,6H2,(H2,12,14)

InChI Key:

SPAROXQKHLQKCY-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1)Cn1cnc(n1)N

Complexity:

250

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: