5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazole-3-carboxylic acid

C7H10N4O2 — CID 125449320

IUPAC5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c([C@@H]2CCCN2)n1
InChIInChI=1S/C7H10N4O2/c12-7(13)6-9-5(10-11-6)4-2-1-3-8-4/h4,8H,1-3H2,(H,12,13)(H,9,10,11)/t4-/m0/s1
InChIKeyAFYPOSLHLZOKJJ-BYPYZUCNSA-N
MW182.18 g/mol
LogP-0.07
Rot. Bonds2

About 5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazole-3-carboxylic acid

5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazole-3-carboxylic acid (PubChem CID 125449320) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazole-3-carboxylic acid
PubChem CID125449320
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c([C@@H]2CCCN2)n1
InChIInChI=1S/C7H10N4O2/c12-7(13)6-9-5(10-11-6)4-2-1-3-8-4/h4,8H,1-3H2,(H,12,13)(H,9,10,11)/t4-/m0/s1
InChIKeyAFYPOSLHLZOKJJ-BYPYZUCNSA-N
XLogP-0.07
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-5-[(2R)-pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 136589176
3-cyclobutyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 84664294
3-propan-2-yl-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 61336970
5-pyrrolidin-2-yl-2H-triazole-4-carboxylic acid
CID 165464255
ethyl 5-(4-methylpiperidin-2-yl)-1H-1,2,4-triazole-3-carboxylate
CID 114426865
ethyl 5-(3-methylpiperidin-2-yl)-1H-1,2,4-triazole-3-carboxylate
CID 107072644
5-pyrrolidin-2-ylpyridine-2-carboxylic acid
CID 55296830
2-pyrrolidin-2-ylbenzo[g]quinoline-4-carboxylic acid
CID 134103584
lithium;5-(2,3-dihydro-1H-inden-1-yl)-1H-1,2,4-triazole-3-carboxylic acid;hydroxide
CID 172816163
5-ethoxycarbonyl-4-[(2S)-pyrrolidin-2-yl]-1H-pyrazole-3-carboxylic acid
CID 53468888
2-[(2S)-pyrrolidin-2-yl]-1H-imidazole;2,2,2-trifluoroacetic acid
CID 172788973
3-(4-tert-butylphenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 82463448

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazole-3-carboxylic acid?
The IUPAC name of 5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazole-3-carboxylic acid (CID 125449320) is 5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazole-3-carboxylic acid.
What is the SMILES notation for 5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazole-3-carboxylic acid?
The canonical SMILES for 5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazole-3-carboxylic acid is O=C(O)c1n[nH]c([C@@H]2CCCN2)n1.
What is the InChIKey of 5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazole-3-carboxylic acid?
The InChIKey is AFYPOSLHLZOKJJ-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H10N4O2/c12-7(13)6-9-5(10-11-6)4-2-1-3-8-4/h4,8H,1-3H2,(H,12,13)(H,9,10,11)/t4-/m0/s1.
What are the key properties of 5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazole-3-carboxylic acid?
5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazole-3-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of -0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazole-3-carboxylic acid is sourced from PubChem (CID 125449320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).