Name: Name:5-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01ALN8
Rating: 90 (10 reviews)

5-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

1248957-71-2

Catalog Number:

AG01ALN8

Molecular Formula:

C9H10N4O3

Molecular Weight:

222.2007

Catalog Number:

AG01ALN8

Chemical Name:

5-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

1248957-71-2

Molecular Formula:

C9H10N4O3

Molecular Weight:

222.2007

MDL Number:

MFCD16674352

IUPAC Name:

5-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxylic acid

InChI:

InChI=1S/C9H10N4O3/c1-5-3-7(16-11-5)4-13-6(2)8(9(14)15)10-12-13/h3H,4H2,1-2H3,(H,14,15)

InChI Key:

PPXRDYSHLFQKGM-UHFFFAOYSA-N

SMILES:

Cc1noc(c1)Cn1nnc(c1C)C(=O)O

Complexity:

276

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.204g/mol

Monoisotopic Mass:

222.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4