2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylethanamine

C12H22N4 — CID 62710066

IUPAC2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylethanamine
SMILESCCNCCc1nncn1C1CCCCC1
InChIInChI=1S/C12H22N4/c1-2-13-9-8-12-15-14-10-16(12)11-6-4-3-5-7-11/h10-11,13H,2-9H2,1H3
InChIKeyZHYQPYUWCSWYTK-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.94
Rot. Bonds5

About 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylethanamine

2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylethanamine (PubChem CID 62710066) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylethanamine
PubChem CID62710066
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylethanamine
SMILESCCNCCc1nncn1C1CCCCC1
InChIInChI=1S/C12H22N4/c1-2-13-9-8-12-15-14-10-16(12)11-6-4-3-5-7-11/h10-11,13H,2-9H2,1H3
InChIKeyZHYQPYUWCSWYTK-UHFFFAOYSA-N
XLogP1.94
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylethanamine?
The IUPAC name of 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylethanamine (CID 62710066) is 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylethanamine?
The canonical SMILES for 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylethanamine is CCNCCc1nncn1C1CCCCC1.
What is the InChIKey of 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylethanamine?
The InChIKey is ZHYQPYUWCSWYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-2-13-9-8-12-15-14-10-16(12)11-6-4-3-5-7-11/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylethanamine?
2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylethanamine has a molecular weight of 222.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylethanamine is sourced from PubChem (CID 62710066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).