Name: Name:1H-1,2,3-Triazole-5-carbonitrile, 4-phenyl-
Brand: Angene
SKU: AG001EBI
Rating: 90 (10 reviews)

1H-1,2,3-Triazole-5-carbonitrile, 4-phenyl-

CAS No.:

14677-11-3

Catalog Number:

AG001EBI

Molecular Formula:

C9H6N4

Molecular Weight:

170.1707

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG001EBI

Chemical Name:

1H-1,2,3-Triazole-5-carbonitrile, 4-phenyl-

CAS Number:

14677-11-3

Molecular Formula:

C9H6N4

Molecular Weight:

170.1707

MDL Number:

MFCD09033689

IUPAC Name:

5-phenyl-2H-triazole-4-carbonitrile

InChI:

InChI=1S/C9H6N4/c10-6-8-9(12-13-11-8)7-4-2-1-3-5-7/h1-5H,(H,11,12,13)

InChI Key:

KXACXWLKMFKIHQ-UHFFFAOYSA-N

SMILES:

N#Cc1[nH]nnc1c1ccccc1

Properties

Complexity:

213

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

170.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

170.175g/mol

Monoisotopic Mass:

170.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
Arylcyanoacrylamides as inhibitors of the Dengue and West Nile virus proteases.	Bioorganic & medicinal chemistry 20111215
Synthesis and biological evaluation of 4-aryl-5-cyano-2H-1,2,3-triazoles as inhibitor of HER2 tyrosine kinase.	Bioorganic & medicinal chemistry 20070201