2-[2-(2-aminoethyl)cyclohexyl]triazol-4-amine

C10H19N5 — CID 112546087

IUPAC2-[2-(2-aminoethyl)cyclohexyl]triazol-4-amine
SMILESNCCC1CCCCC1n1ncc(N)n1
InChIInChI=1S/C10H19N5/c11-6-5-8-3-1-2-4-9(8)15-13-7-10(12)14-15/h7-9H,1-6,11H2,(H2,12,14)
InChIKeyOAQIRNKAXZJQEG-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.94
Rot. Bonds3

About 2-[2-(2-aminoethyl)cyclohexyl]triazol-4-amine

2-[2-(2-aminoethyl)cyclohexyl]triazol-4-amine (PubChem CID 112546087) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)cyclohexyl]triazol-4-amine.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)cyclohexyl]triazol-4-amine
PubChem CID112546087
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name2-[2-(2-aminoethyl)cyclohexyl]triazol-4-amine
SMILESNCCC1CCCCC1n1ncc(N)n1
InChIInChI=1S/C10H19N5/c11-6-5-8-3-1-2-4-9(8)15-13-7-10(12)14-15/h7-9H,1-6,11H2,(H2,12,14)
InChIKeyOAQIRNKAXZJQEG-UHFFFAOYSA-N
XLogP0.94
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclohexyloxymethyl)triazol-4-amine
CID 165473073
2-(2-bromocyclohexyl)ethanamine
CID 53434161
2-[(1R,2S)-2-chlorocyclohexyl]ethanamine
CID 97304641
2-(2-chlorocyclohexyl)ethanamine
CID 53423115
2-[(2R)-2-methylcyclononyl]ethanamine
CID 139362460
[2-(4-methylpyrazol-1-yl)cyclohexyl]methanamine
CID 60874415
trans-(1R,2R)-2-(1,2,4-triazol-4-yl)cyclohexan-1-amine
CID 94388428
[1-(2-ethylcyclohexyl)pyrazol-4-yl]methanamine
CID 63861512
3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine
CID 67095749
2-[2-(fluoromethyl)cyclopentyl]ethanamine
CID 84716320
[2-(3,5-dimethylpyrazol-1-yl)cyclopentyl]methanamine
CID 43293800
(2-indazol-1-ylcycloheptyl)methanamine
CID 62140360

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)cyclohexyl]triazol-4-amine?
The IUPAC name of 2-[2-(2-aminoethyl)cyclohexyl]triazol-4-amine (CID 112546087) is 2-[2-(2-aminoethyl)cyclohexyl]triazol-4-amine.
What is the SMILES notation for 2-[2-(2-aminoethyl)cyclohexyl]triazol-4-amine?
The canonical SMILES for 2-[2-(2-aminoethyl)cyclohexyl]triazol-4-amine is NCCC1CCCCC1n1ncc(N)n1.
What is the InChIKey of 2-[2-(2-aminoethyl)cyclohexyl]triazol-4-amine?
The InChIKey is OAQIRNKAXZJQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c11-6-5-8-3-1-2-4-9(8)15-13-7-10(12)14-15/h7-9H,1-6,11H2,(H2,12,14).
What are the key properties of 2-[2-(2-aminoethyl)cyclohexyl]triazol-4-amine?
2-[2-(2-aminoethyl)cyclohexyl]triazol-4-amine has a molecular weight of 209.30 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)cyclohexyl]triazol-4-amine is sourced from PubChem (CID 112546087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).