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

C12H19N3O2 — CID 61345746

IUPAC5-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)pentanoic acid
SMILESO=C(O)CCCCc1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C12H19N3O2/c16-11(17)8-4-3-7-10-13-12(15-14-10)9-5-1-2-6-9/h9H,1-8H2,(H,16,17)(H,13,14,15)
InChIKeyOLDJDXANKAJPPM-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.26
Rot. Bonds6

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

5-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)pentanoic acid (PubChem CID 61345746) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)pentanoic acid.

Molecular Properties

Compound Name5-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)pentanoic acid
PubChem CID61345746
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)pentanoic acid
SMILESO=C(O)CCCCc1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C12H19N3O2/c16-11(17)8-4-3-7-10-13-12(15-14-10)9-5-1-2-6-9/h9H,1-8H2,(H,16,17)(H,13,14,15)
InChIKeyOLDJDXANKAJPPM-UHFFFAOYSA-N
XLogP2.26
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)pentanoic acid?
The IUPAC name of 5-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)pentanoic acid (CID 61345746) is 5-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)pentanoic acid.
What is the SMILES notation for 5-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)pentanoic acid?
The canonical SMILES for 5-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)pentanoic acid is O=C(O)CCCCc1nc(C2CCCC2)n[nH]1.
What is the InChIKey of 5-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)pentanoic acid?
The InChIKey is OLDJDXANKAJPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-11(17)8-4-3-7-10-13-12(15-14-10)9-5-1-2-6-9/h9H,1-8H2,(H,16,17)(H,13,14,15).
What are the key properties of 5-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)pentanoic acid?
5-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)pentanoic acid has a molecular weight of 237.30 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)pentanoic acid is sourced from PubChem (CID 61345746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).