4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine

C14H22N4 — CID 79211299

IUPAC4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
SMILESCc1nnc(C2C=CC(N)C2)n1C1CCCCC1
InChIInChI=1S/C14H22N4/c1-10-16-17-14(11-7-8-12(15)9-11)18(10)13-5-3-2-4-6-13/h7-8,11-13H,2-6,9,15H2,1H3
InChIKeyBATZPBHPCXSBIL-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.46
Rot. Bonds2

About 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine

4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine (PubChem CID 79211299) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
PubChem CID79211299
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
SMILESCc1nnc(C2C=CC(N)C2)n1C1CCCCC1
InChIInChI=1S/C14H22N4/c1-10-16-17-14(11-7-8-12(15)9-11)18(10)13-5-3-2-4-6-13/h7-8,11-13H,2-6,9,15H2,1H3
InChIKeyBATZPBHPCXSBIL-UHFFFAOYSA-N
XLogP2.46
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.46
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-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The IUPAC name of 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine (CID 79211299) is 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine.
What is the SMILES notation for 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The canonical SMILES for 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine is Cc1nnc(C2C=CC(N)C2)n1C1CCCCC1.
What is the InChIKey of 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The InChIKey is BATZPBHPCXSBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10-16-17-14(11-7-8-12(15)9-11)18(10)13-5-3-2-4-6-13/h7-8,11-13H,2-6,9,15H2,1H3.
What are the key properties of 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine has a molecular weight of 246.36 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine is sourced from PubChem (CID 79211299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).