Name: Name:1H-1,2,3-Triazole, 1-phenyl-
Brand: Angene
SKU: AG001KRT
Rating: 90 (10 reviews)

1H-1,2,3-Triazole, 1-phenyl-

CAS No.:

1453-81-2

Catalog Number:

AG001KRT

Molecular Formula:

C8H7N3

Molecular Weight:

145.1613

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Product Description

Catalog Number:

AG001KRT

Chemical Name:

1H-1,2,3-Triazole, 1-phenyl-

CAS Number:

1453-81-2

Molecular Formula:

C8H7N3

Molecular Weight:

145.1613

MDL Number:

MFCD08695353

IUPAC Name:

1-phenyltriazole

InChI:

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

InChI Key:

KINVSCCCUSCXTA-UHFFFAOYSA-N

SMILES:

c1ccc(cc1)n1nncc1

NSC Number:

111902

Properties

Complexity:

121

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:

1.3

Literature

Title	Journal
Rational design of 4-aryl-1,2,3-triazoles for indoleamine 2,3-dioxygenase 1 inhibition.	Journal of medicinal chemistry 20120614
Synthesis, 3D-QSAR, and docking studies of 1-phenyl-1H-1,2,3-triazoles as selective antagonists for beta3 over alpha1beta2gamma2 GABA receptors.	Bioorganic & medicinal chemistry 20070801

Properties