4-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine

C13H20N4 — CID 79210500

IUPAC4-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nncn2C2CCCCC2)C1
InChIInChI=1S/C13H20N4/c14-11-7-6-10(8-11)13-16-15-9-17(13)12-4-2-1-3-5-12/h6-7,9-12H,1-5,8,14H2
InChIKeySVCFCFHYJUMQEY-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.15
Rot. Bonds2

About 4-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine

4-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine (PubChem CID 79210500) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
PubChem CID79210500
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name4-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nncn2C2CCCCC2)C1
InChIInChI=1S/C13H20N4/c14-11-7-6-10(8-11)13-16-15-9-17(13)12-4-2-1-3-5-12/h6-7,9-12H,1-5,8,14H2
InChIKeySVCFCFHYJUMQEY-UHFFFAOYSA-N
XLogP2.15
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The IUPAC name of 4-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine (CID 79210500) is 4-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine.
What is the SMILES notation for 4-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The canonical SMILES for 4-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine is NC1C=CC(c2nncn2C2CCCCC2)C1.
What is the InChIKey of 4-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The InChIKey is SVCFCFHYJUMQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c14-11-7-6-10(8-11)13-16-15-9-17(13)12-4-2-1-3-5-12/h6-7,9-12H,1-5,8,14H2.
What are the key properties of 4-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
4-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine has a molecular weight of 232.33 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine is sourced from PubChem (CID 79210500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).