Name: Name:1H-1,2,4-Triazole-3-carboxylic acid, 5-methyl-1-phenyl-
Brand: Angene
SKU: AG0004Y5
Rating: 90 (10 reviews)

1H-1,2,4-Triazole-3-carboxylic acid, 5-methyl-1-phenyl-

CAS No.:

1016-57-5

Catalog Number:

AG0004Y5

Molecular Formula:

C10H9N3O2

Molecular Weight:

203.1974

Catalog Number:

AG0004Y5

Chemical Name:

1H-1,2,4-Triazole-3-carboxylic acid, 5-methyl-1-phenyl-

CAS Number:

1016-57-5

Molecular Formula:

C10H9N3O2

Molecular Weight:

203.1974

MDL Number:

MFCD11053232

IUPAC Name:

5-methyl-1-phenyl-1,2,4-triazole-3-carboxylic acid

InChI:

InChI=1S/C10H9N3O2/c1-7-11-9(10(14)15)12-13(7)8-5-3-2-4-6-8/h2-6H,1H3,(H,14,15)

InChI Key:

XPBATPBRNKFEPI-UHFFFAOYSA-N

SMILES:

OC(=O)c1nn(c(n1)C)c1ccccc1

Complexity:

241

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

203.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

203.201g/mol

Monoisotopic Mass:

203.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9