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

C8H12N4O2 — CID 103980129

IUPAC2-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid
SMILESNc1n[nH]c(C2CCCC2C(=O)O)n1
InChIInChI=1S/C8H12N4O2/c9-8-10-6(11-12-8)4-2-1-3-5(4)7(13)14/h4-5H,1-3H2,(H,13,14)(H3,9,10,11,12)
InChIKeyPNSAMXFLWKHKIL-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.36
Rot. Bonds2

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

2-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid (PubChem CID 103980129) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid
PubChem CID103980129
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name2-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid
SMILESNc1n[nH]c(C2CCCC2C(=O)O)n1
InChIInChI=1S/C8H12N4O2/c9-8-10-6(11-12-8)4-2-1-3-5(4)7(13)14/h4-5H,1-3H2,(H,13,14)(H3,9,10,11,12)
InChIKeyPNSAMXFLWKHKIL-UHFFFAOYSA-N
XLogP0.36
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid
CID 103980132
2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)cyclohexane-1-carboxylic acid
CID 61347315
2-(5-amino-1-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
CID 104605775
2-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxylic acid
CID 79820848
5-(3-methylcyclohexyl)-1H-1,2,4-triazol-3-amine
CID 127004880
2-(1,2-thiazol-3-yl)cyclopentane-1-carboxylic acid
CID 130898178
5-(5-methyloxolan-2-yl)-1H-1,2,4-triazol-3-amine
CID 81330712
2-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylic acid
CID 103979455
(2R)-1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxylic acid
CID 79034625
2,3-bis(2H-triazol-4-yl)cyclohexane-1-carboxylic acid
CID 118271261
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-4-carboxylic acid
CID 62793007
5-(3-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine
CID 107072621

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid (CID 103980129) is 2-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid is Nc1n[nH]c(C2CCCC2C(=O)O)n1.
What is the InChIKey of 2-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid?
The InChIKey is PNSAMXFLWKHKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c9-8-10-6(11-12-8)4-2-1-3-5(4)7(13)14/h4-5H,1-3H2,(H,13,14)(H3,9,10,11,12).
What are the key properties of 2-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid?
2-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103980129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).