1-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-3-carboxylic acid

C8H13N5O2 — CID 112708500

IUPAC1-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-3-carboxylic acid
SMILESNc1nc(N2CCCC(C(=O)O)C2)n[nH]1
InChIInChI=1S/C8H13N5O2/c9-7-10-8(12-11-7)13-3-1-2-5(4-13)6(14)15/h5H,1-4H2,(H,14,15)(H3,9,10,11,12)
InChIKeyWTSIZMZIMRMDAR-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.31
Rot. Bonds2

About 1-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-3-carboxylic acid

1-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-3-carboxylic acid (PubChem CID 112708500) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-3-carboxylic acid
PubChem CID112708500
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name1-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-3-carboxylic acid
SMILESNc1nc(N2CCCC(C(=O)O)C2)n[nH]1
InChIInChI=1S/C8H13N5O2/c9-7-10-8(12-11-7)13-3-1-2-5(4-13)6(14)15/h5H,1-4H2,(H,14,15)(H3,9,10,11,12)
InChIKeyWTSIZMZIMRMDAR-UHFFFAOYSA-N
XLogP-0.31
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-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

1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 155290360
3-(3-ethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66276249
3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66276900
3-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66277112
1-[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-3-carboxylic acid
CID 69425487
[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]methanol
CID 112629409
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103
2-[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]ethanol
CID 114802720
3-(4-ethylazepan-1-yl)-1H-1,2,4-triazol-5-amine
CID 66277764
(6R)-1-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-6-[(4-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 126642089
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylic acid
CID 122172593
1-(5-cyclobutylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 116976080

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-3-carboxylic acid (CID 112708500) is 1-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-3-carboxylic acid is Nc1nc(N2CCCC(C(=O)O)C2)n[nH]1.
What is the InChIKey of 1-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-3-carboxylic acid?
The InChIKey is WTSIZMZIMRMDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c9-7-10-8(12-11-7)13-3-1-2-5(4-13)6(14)15/h5H,1-4H2,(H,14,15)(H3,9,10,11,12).
What are the key properties of 1-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-3-carboxylic acid?
1-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-3-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of -0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 112708500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).