Name: Name:3-methyl-1-phenyl-1H-1,2,4-triazol-5-amine
Brand: Angene
SKU: AG019YUM
Rating: 90 (10 reviews)

3-methyl-1-phenyl-1H-1,2,4-triazol-5-amine

CAS No.:

68557-26-6

Catalog Number:

AG019YUM

Molecular Formula:

C9H10N4

Molecular Weight:

174.2025

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Product Description

Catalog Number:

AG019YUM

Chemical Name:

3-methyl-1-phenyl-1H-1,2,4-triazol-5-amine

CAS Number:

68557-26-6

Molecular Formula:

C9H10N4

Molecular Weight:

174.2025

MDL Number:

MFCD16845144

IUPAC Name:

5-methyl-2-phenyl-1,2,4-triazol-3-amine

InChI:

InChI=1S/C9H10N4/c1-7-11-9(10)13(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,10,11,12)

InChI Key:

KJQUSZYWRCFSBC-UHFFFAOYSA-N

SMILES:

Nc1nc(nn1c1ccccc1)C

Properties

Complexity:

167

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

174.091g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

174.207g/mol

Monoisotopic Mass:

174.091g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

56.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
5-Amino-3-methyl-1-phenyl-1H-1,2,4-triazole.	Acta crystallographica. Section E, Structure reports online 20080401