4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid

C12H19N3O2 — CID 61361990

IUPAC4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid
SMILESCc1nnc(CCCC(=O)O)n1C1CCCC1
InChIInChI=1S/C12H19N3O2/c1-9-13-14-11(7-4-8-12(16)17)15(9)10-5-2-3-6-10/h10H,2-8H2,1H3,(H,16,17)
InChIKeyYKIUKVFYYLFHDE-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.11
Rot. Bonds5

About 4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid

4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid (PubChem CID 61361990) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid
PubChem CID61361990
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid
SMILESCc1nnc(CCCC(=O)O)n1C1CCCC1
InChIInChI=1S/C12H19N3O2/c1-9-13-14-11(7-4-8-12(16)17)15(9)10-5-2-3-6-10/h10H,2-8H2,1H3,(H,16,17)
InChIKeyYKIUKVFYYLFHDE-UHFFFAOYSA-N
XLogP2.11
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)butanoic 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 4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid?
The IUPAC name of 4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid (CID 61361990) is 4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid.
What is the SMILES notation for 4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid?
The canonical SMILES for 4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid is Cc1nnc(CCCC(=O)O)n1C1CCCC1.
What is the InChIKey of 4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid?
The InChIKey is YKIUKVFYYLFHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-13-14-11(7-4-8-12(16)17)15(9)10-5-2-3-6-10/h10H,2-8H2,1H3,(H,16,17).
What are the key properties of 4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid?
4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid has a molecular weight of 237.30 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid is sourced from PubChem (CID 61361990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).