1-(1-cyclopentylpyrrolidin-3-yl)-4-cyclopropyltriazole

C14H22N4 — CID 121184481

IUPAC1-(1-cyclopentylpyrrolidin-3-yl)-4-cyclopropyltriazole
SMILESc1c(C2CC2)nnn1C1CCN(C2CCCC2)C1
InChIInChI=1S/C14H22N4/c1-2-4-12(3-1)17-8-7-13(9-17)18-10-14(15-16-18)11-5-6-11/h10-13H,1-9H2
InChIKeyPGWDVVPKJMTERH-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.34
Rot. Bonds3

About 1-(1-cyclopentylpyrrolidin-3-yl)-4-cyclopropyltriazole

1-(1-cyclopentylpyrrolidin-3-yl)-4-cyclopropyltriazole (PubChem CID 121184481) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrrolidin-3-yl)-4-cyclopropyltriazole.

Molecular Properties

Compound Name1-(1-cyclopentylpyrrolidin-3-yl)-4-cyclopropyltriazole
PubChem CID121184481
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-(1-cyclopentylpyrrolidin-3-yl)-4-cyclopropyltriazole
SMILESc1c(C2CC2)nnn1C1CCN(C2CCCC2)C1
InChIInChI=1S/C14H22N4/c1-2-4-12(3-1)17-8-7-13(9-17)18-10-14(15-16-18)11-5-6-11/h10-13H,1-9H2
InChIKeyPGWDVVPKJMTERH-UHFFFAOYSA-N
XLogP2.34
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-cyclopentylpyrrolidin-3-yl)-4-cyclopropyltriazole 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 1-(1-cyclopentylpyrrolidin-3-yl)-4-cyclopropyltriazole?
The IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-4-cyclopropyltriazole (CID 121184481) is 1-(1-cyclopentylpyrrolidin-3-yl)-4-cyclopropyltriazole.
What is the SMILES notation for 1-(1-cyclopentylpyrrolidin-3-yl)-4-cyclopropyltriazole?
The canonical SMILES for 1-(1-cyclopentylpyrrolidin-3-yl)-4-cyclopropyltriazole is c1c(C2CC2)nnn1C1CCN(C2CCCC2)C1.
What is the InChIKey of 1-(1-cyclopentylpyrrolidin-3-yl)-4-cyclopropyltriazole?
The InChIKey is PGWDVVPKJMTERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-2-4-12(3-1)17-8-7-13(9-17)18-10-14(15-16-18)11-5-6-11/h10-13H,1-9H2.
What are the key properties of 1-(1-cyclopentylpyrrolidin-3-yl)-4-cyclopropyltriazole?
1-(1-cyclopentylpyrrolidin-3-yl)-4-cyclopropyltriazole has a molecular weight of 246.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrrolidin-3-yl)-4-cyclopropyltriazole is sourced from PubChem (CID 121184481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).