Name: Name:1-[(dimethylcarbamoyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG019WM9
Rating: 90 (10 reviews)

1-[(dimethylcarbamoyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

1193388-85-0

Catalog Number:

AG019WM9

Molecular Formula:

C7H10N4O3

Molecular Weight:

198.1793

Catalog Number:

AG019WM9

Chemical Name:

1-[(dimethylcarbamoyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

1193388-85-0

Molecular Formula:

C7H10N4O3

Molecular Weight:

198.1793

MDL Number:

MFCD12913104

IUPAC Name:

1-[2-(dimethylamino)-2-oxoethyl]triazole-4-carboxylic acid

InChI:

InChI=1S/C7H10N4O3/c1-10(2)6(12)4-11-3-5(7(13)14)8-9-11/h3H,4H2,1-2H3,(H,13,14)

InChI Key:

KPQKNPZQTZXPIY-UHFFFAOYSA-N

SMILES:

CN(C(=O)Cn1nnc(c1)C(=O)O)C

Complexity:

243

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.182g/mol

Monoisotopic Mass:

198.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.8