Name: Name:4H-1,2,4-Triazole, 4-phenyl-
Brand: Angene
SKU: AG001SY0
Rating: 90 (10 reviews)

4H-1,2,4-Triazole, 4-phenyl-

CAS No.:

16227-12-6

Catalog Number:

AG001SY0

Molecular Formula:

C8H7N3

Molecular Weight:

145.1613

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Product Description

Catalog Number:

AG001SY0

Chemical Name:

4H-1,2,4-Triazole, 4-phenyl-

CAS Number:

16227-12-6

Molecular Formula:

C8H7N3

Molecular Weight:

145.1613

MDL Number:

MFCD00957679

IUPAC Name:

4-phenyl-1,2,4-triazole

InChI:

InChI=1S/C8H7N3/c1-2-4-8(5-3-1)11-6-9-10-7-11/h1-7H

InChI Key:

YAHHNSBXSDGEFB-UHFFFAOYSA-N

SMILES:

c1ccc(cc1)n1cnnc1

Properties

Complexity:

115

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

145.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

145.165g/mol

Monoisotopic Mass:

145.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

30.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Synthesis and CYP26A1 inhibitory activity of 1-[benzofuran-2-yl-(4-alkyl/aryl-phenyl)-methyl]-1H-triazoles.	Bioorganic & medicinal chemistry 20060601

Properties