3-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexan-1-amine

C13H22N4 — CID 55147301

IUPAC3-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
SMILESNC1CCCC(c2nncn2C2CCCC2)C1
InChIInChI=1S/C13H22N4/c14-11-5-3-4-10(8-11)13-16-15-9-17(13)12-6-1-2-7-12/h9-12H,1-8,14H2
InChIKeySOYXDJMJDRFWBF-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.38
Rot. Bonds2

About 3-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexan-1-amine

3-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexan-1-amine (PubChem CID 55147301) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 3-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
PubChem CID55147301
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name3-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
SMILESNC1CCCC(c2nncn2C2CCCC2)C1
InChIInChI=1S/C13H22N4/c14-11-5-3-4-10(8-11)13-16-15-9-17(13)12-6-1-2-7-12/h9-12H,1-8,14H2
InChIKeySOYXDJMJDRFWBF-UHFFFAOYSA-N
XLogP2.38
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The IUPAC name of 3-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexan-1-amine (CID 55147301) is 3-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The canonical SMILES for 3-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexan-1-amine is NC1CCCC(c2nncn2C2CCCC2)C1.
What is the InChIKey of 3-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The InChIKey is SOYXDJMJDRFWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c14-11-5-3-4-10(8-11)13-16-15-9-17(13)12-6-1-2-7-12/h9-12H,1-8,14H2.
What are the key properties of 3-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
3-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexan-1-amine has a molecular weight of 234.35 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 55147301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).