Name: Name:3-methyl-2-(4H-1,2,4-triazol-4-yl)butanoic acid
Brand: Angene
SKU: AG01DV3I
Rating: 90 (10 reviews)

3-methyl-2-(4H-1,2,4-triazol-4-yl)butanoic acid

CAS No.:

1247634-81-6

Catalog Number:

AG01DV3I

Molecular Formula:

C7H11N3O2

Molecular Weight:

169.1811

Catalog Number:

AG01DV3I

Chemical Name:

3-methyl-2-(4H-1,2,4-triazol-4-yl)butanoic acid

CAS Number:

1247634-81-6

Molecular Formula:

C7H11N3O2

Molecular Weight:

169.1811

MDL Number:

MFCD16702841

IUPAC Name:

3-methyl-2-(1,2,4-triazol-4-yl)butanoic acid

InChI:

InChI=1S/C7H11N3O2/c1-5(2)6(7(11)12)10-3-8-9-4-10/h3-6H,1-2H3,(H,11,12)

InChI Key:

LIBDYKLLDZPIMB-UHFFFAOYSA-N

SMILES:

CC(C(n1cnnc1)C(=O)O)C

Complexity:

166

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

169.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

169.184g/mol

Monoisotopic Mass:

169.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5