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

C14H22N4 — CID 115277811

IUPAC4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
SMILESCn1nc(C2CCCCC2)nc1C1C=CC(N)C1
InChIInChI=1S/C14H22N4/c1-18-14(11-7-8-12(15)9-11)16-13(17-18)10-5-3-2-4-6-10/h7-8,10-12H,2-6,9,15H2,1H3
InChIKeyPBQDFTVZOCQZAP-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.23
Rot. Bonds2

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

4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine (PubChem CID 115277811) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
PubChem CID115277811
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
SMILESCn1nc(C2CCCCC2)nc1C1C=CC(N)C1
InChIInChI=1S/C14H22N4/c1-18-14(11-7-8-12(15)9-11)16-13(17-18)10-5-3-2-4-6-10/h7-8,10-12H,2-6,9,15H2,1H3
InChIKeyPBQDFTVZOCQZAP-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

5-[(1S)-cyclohex-3-en-1-yl]-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole
CID 129615629
2-[3-(2-Methylpropyl)-5-[2-(2,3,5-trimethyl-3,4-dihydropyrazol-4-yl)ethyl]-1,2,4-triazol-1-yl]-2,3-dihydropyridine
CID 68030237
2-butyl-2-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1H-pyridine
CID 70433566
1-(4-Chloro-5,6-dimethylcyclohexa-2,4-dien-1-yl)-5-hexan-3-yl-3-methyl-1,2,4-triazole
CID 123762136
6-(4,5-dimethyl-1,2,4-triazol-3-yl)-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline
CID 142140840
4-[3-(Cyclohepta-2,4-dien-1-ylmethyl)-5-ethyl-1,2,4-triazol-1-yl]piperidine
CID 142910498
(5E)-N,4-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylidene]heptan-2-amine
CID 143782091
6-(3-pentan-2-yl-5-propan-2-yl-1,2,4-triazol-4-yl)-2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine
CID 163933016
N-(cyclohex-3-en-1-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43702877
N-(cyclohex-3-en-1-ylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 43748037
1-cyclohex-3-en-1-yl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 61951129
N-(cyclohex-3-en-1-ylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63329075

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The IUPAC name of 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine (CID 115277811) is 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine.
What is the SMILES notation for 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The canonical SMILES for 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine is Cn1nc(C2CCCCC2)nc1C1C=CC(N)C1.
What is the InChIKey of 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The InChIKey is PBQDFTVZOCQZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-18-14(11-7-8-12(15)9-11)16-13(17-18)10-5-3-2-4-6-10/h7-8,10-12H,2-6,9,15H2,1H3.
What are the key properties of 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine has a molecular weight of 246.36 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine is sourced from PubChem (CID 115277811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).