1-cyclohexyl-N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]triazol-4-amine

C20H36N6 — CID 76683986

IUPAC1-cyclohexyl-N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]triazol-4-amine
SMILESc1c(NCCN2CCN(C3CCCCC3)CC2)nnn1C1CCCCC1
InChIInChI=1S/C20H36N6/c1-3-7-18(8-4-1)25-15-13-24(14-16-25)12-11-21-20-17-26(23-22-20)19-9-5-2-6-10-19/h17-19,21H,1-16H2
InChIKeyMYYWUUBCPFMEPK-UHFFFAOYSA-N
MW360.55 g/mol
LogP3.15
Rot. Bonds6

About 1-cyclohexyl-N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]triazol-4-amine

1-cyclohexyl-N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]triazol-4-amine (PubChem CID 76683986) has the molecular formula C20H36N6 and a molecular weight of 360.55 g/mol. Its IUPAC name is 1-cyclohexyl-N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]triazol-4-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]triazol-4-amine
PubChem CID76683986
Molecular FormulaC20H36N6
Molecular Weight360.55 g/mol
Exact Mass360.30
IUPAC Name1-cyclohexyl-N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]triazol-4-amine
SMILESc1c(NCCN2CCN(C3CCCCC3)CC2)nnn1C1CCCCC1
InChIInChI=1S/C20H36N6/c1-3-7-18(8-4-1)25-15-13-24(14-16-25)12-11-21-20-17-26(23-22-20)19-9-5-2-6-10-19/h17-19,21H,1-16H2
InChIKeyMYYWUUBCPFMEPK-UHFFFAOYSA-N
XLogP3.15
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-cyclohexyl-N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]triazol-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]triazol-4-amine?
The IUPAC name of 1-cyclohexyl-N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]triazol-4-amine (CID 76683986) is 1-cyclohexyl-N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]triazol-4-amine.
What is the SMILES notation for 1-cyclohexyl-N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]triazol-4-amine?
The canonical SMILES for 1-cyclohexyl-N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]triazol-4-amine is c1c(NCCN2CCN(C3CCCCC3)CC2)nnn1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]triazol-4-amine?
The InChIKey is MYYWUUBCPFMEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N6/c1-3-7-18(8-4-1)25-15-13-24(14-16-25)12-11-21-20-17-26(23-22-20)19-9-5-2-6-10-19/h17-19,21H,1-16H2.
What are the key properties of 1-cyclohexyl-N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]triazol-4-amine?
1-cyclohexyl-N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]triazol-4-amine has a molecular weight of 360.55 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]triazol-4-amine is sourced from PubChem (CID 76683986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).