Name: Name:1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG019WMB
Rating: 90 (10 reviews)

1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

1208757-40-7

Catalog Number:

AG019WMB

Molecular Formula:

C9H12N4O3

Molecular Weight:

224.2166

Catalog Number:

AG019WMB

Chemical Name:

1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

1208757-40-7

Molecular Formula:

C9H12N4O3

Molecular Weight:

224.2166

MDL Number:

MFCD13195840

IUPAC Name:

1-(2-oxo-2-pyrrolidin-1-ylethyl)triazole-4-carboxylic acid

InChI:

InChI=1S/C9H12N4O3/c14-8(12-3-1-2-4-12)6-13-5-7(9(15)16)10-11-13/h5H,1-4,6H2,(H,15,16)

InChI Key:

NGCQILPCQQLXBX-UHFFFAOYSA-N

SMILES:

O=C(N1CCCC1)Cn1nnc(c1)C(=O)O

Complexity:

291

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

224.091g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

224.22g/mol

Monoisotopic Mass:

224.091g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.3