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

C15H24N4 — CID 121184482

IUPAC1-(1-cyclohexylpyrrolidin-3-yl)-4-cyclopropyltriazole
SMILESc1c(C2CC2)nnn1C1CCN(C2CCCCC2)C1
InChIInChI=1S/C15H24N4/c1-2-4-13(5-3-1)18-9-8-14(10-18)19-11-15(16-17-19)12-6-7-12/h11-14H,1-10H2
InChIKeyOFEGYQIIXPEQMJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.73
Rot. Bonds3

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

1-(1-cyclohexylpyrrolidin-3-yl)-4-cyclopropyltriazole (PubChem CID 121184482) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrrolidin-3-yl)-4-cyclopropyltriazole.

Molecular Properties

Compound Name1-(1-cyclohexylpyrrolidin-3-yl)-4-cyclopropyltriazole
PubChem CID121184482
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-(1-cyclohexylpyrrolidin-3-yl)-4-cyclopropyltriazole
SMILESc1c(C2CC2)nnn1C1CCN(C2CCCCC2)C1
InChIInChI=1S/C15H24N4/c1-2-4-13(5-3-1)18-9-8-14(10-18)19-11-15(16-17-19)12-6-7-12/h11-14H,1-10H2
InChIKeyOFEGYQIIXPEQMJ-UHFFFAOYSA-N
XLogP2.73
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrrolidin-3-yl)-4-cyclopropyltriazole?
The IUPAC name of 1-(1-cyclohexylpyrrolidin-3-yl)-4-cyclopropyltriazole (CID 121184482) is 1-(1-cyclohexylpyrrolidin-3-yl)-4-cyclopropyltriazole.
What is the SMILES notation for 1-(1-cyclohexylpyrrolidin-3-yl)-4-cyclopropyltriazole?
The canonical SMILES for 1-(1-cyclohexylpyrrolidin-3-yl)-4-cyclopropyltriazole is c1c(C2CC2)nnn1C1CCN(C2CCCCC2)C1.
What is the InChIKey of 1-(1-cyclohexylpyrrolidin-3-yl)-4-cyclopropyltriazole?
The InChIKey is OFEGYQIIXPEQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-2-4-13(5-3-1)18-9-8-14(10-18)19-11-15(16-17-19)12-6-7-12/h11-14H,1-10H2.
What are the key properties of 1-(1-cyclohexylpyrrolidin-3-yl)-4-cyclopropyltriazole?
1-(1-cyclohexylpyrrolidin-3-yl)-4-cyclopropyltriazole has a molecular weight of 260.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpyrrolidin-3-yl)-4-cyclopropyltriazole is sourced from PubChem (CID 121184482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).