Name: Name:2-(3,4-dimethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetic acid
Brand: Angene
SKU: AG01B2IT
Rating: 90 (10 reviews)

2-(3,4-dimethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetic acid

CAS No.:

1007349-08-7

Catalog Number:

AG01B2IT

Molecular Formula:

C6H9N3O3

Molecular Weight:

171.1540

Catalog Number:

AG01B2IT

Chemical Name:

2-(3,4-dimethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetic acid

CAS Number:

1007349-08-7

Molecular Formula:

C6H9N3O3

Molecular Weight:

171.1540

MDL Number:

MFCD20660748

IUPAC Name:

2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetic acid

InChI:

InChI=1S/C6H9N3O3/c1-4-7-9(3-5(10)11)6(12)8(4)2/h3H2,1-2H3,(H,10,11)

InChI Key:

WURXDKGHEOCVEK-UHFFFAOYSA-N

SMILES:

OC(=O)Cn1nc(n(c1=O)C)C

Complexity:

261

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

171.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

171.156g/mol

Monoisotopic Mass:

171.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.8