Name: Name:2-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetic acid
Brand: Angene
SKU: AG01A36Z
Rating: 90 (10 reviews)

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

CAS No.:

1424081-43-5

Catalog Number:

AG01A36Z

Molecular Formula:

C5H7N3O3

Molecular Weight:

157.1274

Catalog Number:

AG01A36Z

Chemical Name:

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

CAS Number:

1424081-43-5

Molecular Formula:

C5H7N3O3

Molecular Weight:

157.1274

MDL Number:

MFCD23144005

IUPAC Name:

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

InChI:

InChI=1S/C5H7N3O3/c1-7-3-6-8(5(7)11)2-4(9)10/h3H,2H2,1H3,(H,9,10)

InChI Key:

FGEKLKCHHDOOKJ-UHFFFAOYSA-N

SMILES:

Cn1cnn(c1=O)CC(=O)O

Complexity:

225

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

157.049g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

157.129g/mol

Monoisotopic Mass:

157.049g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.8