Name: Name:5-methyl-4-phenyl-1H-1,2,3-triazole
Brand: Angene
SKU: AG01C97Y
Rating: 90 (10 reviews)

5-methyl-4-phenyl-1H-1,2,3-triazole

CAS No.:

55324-06-6

Catalog Number:

AG01C97Y

Molecular Formula:

C9H9N3

Molecular Weight:

159.1879

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Product Description

Catalog Number:

AG01C97Y

Chemical Name:

5-methyl-4-phenyl-1H-1,2,3-triazole

CAS Number:

55324-06-6

Molecular Formula:

C9H9N3

Molecular Weight:

159.1879

MDL Number:

MFCD13172421

IUPAC Name:

4-methyl-5-phenyl-2H-triazole

InChI:

InChI=1S/C9H9N3/c1-7-9(11-12-10-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,10,11,12)

InChI Key:

BOGNPBISACKTBA-UHFFFAOYSA-N

SMILES:

Cc1[nH]nnc1c1ccccc1

Properties

Complexity:

143

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

159.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

159.192g/mol

Monoisotopic Mass:

159.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
Rational design of 4-aryl-1,2,3-triazoles for indoleamine 2,3-dioxygenase 1 inhibition.	Journal of medicinal chemistry 20120614