2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)acetic acid

C9H13N3O2 — CID 61346152

IUPAC2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)acetic acid
SMILESO=C(O)Cc1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C9H13N3O2/c13-8(14)5-7-10-9(12-11-7)6-3-1-2-4-6/h6H,1-5H2,(H,13,14)(H,10,11,12)
InChIKeyVKXQPHGUHCPEDA-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.09
Rot. Bonds3

About 2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)acetic acid

2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)acetic acid (PubChem CID 61346152) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)acetic acid
PubChem CID61346152
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)acetic acid
SMILESO=C(O)Cc1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C9H13N3O2/c13-8(14)5-7-10-9(12-11-7)6-3-1-2-4-6/h6H,1-5H2,(H,13,14)(H,10,11,12)
InChIKeyVKXQPHGUHCPEDA-UHFFFAOYSA-N
XLogP1.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)acetic acid?
The IUPAC name of 2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)acetic acid (CID 61346152) is 2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)acetic acid is O=C(O)Cc1nc(C2CCCC2)n[nH]1.
What is the InChIKey of 2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)acetic acid?
The InChIKey is VKXQPHGUHCPEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-8(14)5-7-10-9(12-11-7)6-3-1-2-4-6/h6H,1-5H2,(H,13,14)(H,10,11,12).
What are the key properties of 2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)acetic acid?
2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)acetic acid has a molecular weight of 195.22 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)acetic acid is sourced from PubChem (CID 61346152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).