[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine

C11H18N4 — CID 82470351

IUPAC[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
SMILESNCc1nncn1CCC1=CCCCC1
InChIInChI=1S/C11H18N4/c12-8-11-14-13-9-15(11)7-6-10-4-2-1-3-5-10/h4,9H,1-3,5-8,12H2
InChIKeyMIRZGCSIVKFXSV-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.63
Rot. Bonds4

About [4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine

[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 82470351) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is [4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
PubChem CID82470351
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
SMILESNCc1nncn1CCC1=CCCCC1
InChIInChI=1S/C11H18N4/c12-8-11-14-13-9-15(11)7-6-10-4-2-1-3-5-10/h4,9H,1-3,5-8,12H2
InChIKeyMIRZGCSIVKFXSV-UHFFFAOYSA-N
XLogP1.63
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(Cyclohexen-1-yl)ethyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 51083393
1-[2-(Cyclohexen-1-yl)ethyl]-1,2,4-triazole-3-carbonitrile
CID 128563745
N-(cyclohex-3-en-1-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43702877
2-(cyclohexen-1-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 60975361
1-cyclohex-3-en-1-yl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 65600673
2-(cyclohexen-1-yl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 65602151
1-cyclohex-3-en-1-yl-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]methanamine
CID 65607840
2-(cyclohexen-1-yl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 65607846
1-cyclohex-3-en-1-yl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 65608035
1-cyclohex-3-en-1-yl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 65608036
2-(cyclohexen-1-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 65608042
2-(cyclohexen-1-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 65608043

Frequently Asked Questions

What is the IUPAC name of [4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine (CID 82470351) is [4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine is NCc1nncn1CCC1=CCCCC1.
What is the InChIKey of [4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is MIRZGCSIVKFXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c12-8-11-14-13-9-15(11)7-6-10-4-2-1-3-5-10/h4,9H,1-3,5-8,12H2.
What are the key properties of [4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine?
[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 206.29 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 82470351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).