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

C11H17N3O2 — CID 61345340

IUPAC4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)butanoic acid
SMILESO=C(O)CCCc1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C11H17N3O2/c15-10(16)7-3-6-9-12-11(14-13-9)8-4-1-2-5-8/h8H,1-7H2,(H,15,16)(H,12,13,14)
InChIKeyAEBIIRLOAANJED-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.87
Rot. Bonds5

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

4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)butanoic acid (PubChem CID 61345340) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)butanoic acid
PubChem CID61345340
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)butanoic acid
SMILESO=C(O)CCCc1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C11H17N3O2/c15-10(16)7-3-6-9-12-11(14-13-9)8-4-1-2-5-8/h8H,1-7H2,(H,15,16)(H,12,13,14)
InChIKeyAEBIIRLOAANJED-UHFFFAOYSA-N
XLogP1.87
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)butanoic acid?
The IUPAC name of 4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)butanoic acid (CID 61345340) is 4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)butanoic acid.
What is the SMILES notation for 4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)butanoic acid?
The canonical SMILES for 4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)butanoic acid is O=C(O)CCCc1nc(C2CCCC2)n[nH]1.
What is the InChIKey of 4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)butanoic acid?
The InChIKey is AEBIIRLOAANJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-10(16)7-3-6-9-12-11(14-13-9)8-4-1-2-5-8/h8H,1-7H2,(H,15,16)(H,12,13,14).
What are the key properties of 4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)butanoic acid?
4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)butanoic acid has a molecular weight of 223.28 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)butanoic acid is sourced from PubChem (CID 61345340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).