1-[3-(2-aminoethyl)cyclohexyl]triazol-4-amine

C10H19N5 — CID 112546084

IUPAC1-[3-(2-aminoethyl)cyclohexyl]triazol-4-amine
SMILESNCCC1CCCC(n2cc(N)nn2)C1
InChIInChI=1S/C10H19N5/c11-5-4-8-2-1-3-9(6-8)15-7-10(12)13-14-15/h7-9H,1-6,11-12H2
InChIKeyMXUDDKBNAFRMQC-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.94
Rot. Bonds3

About 1-[3-(2-aminoethyl)cyclohexyl]triazol-4-amine

1-[3-(2-aminoethyl)cyclohexyl]triazol-4-amine (PubChem CID 112546084) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 1-[3-(2-aminoethyl)cyclohexyl]triazol-4-amine.

Molecular Properties

Compound Name1-[3-(2-aminoethyl)cyclohexyl]triazol-4-amine
PubChem CID112546084
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name1-[3-(2-aminoethyl)cyclohexyl]triazol-4-amine
SMILESNCCC1CCCC(n2cc(N)nn2)C1
InChIInChI=1S/C10H19N5/c11-5-4-8-2-1-3-9(6-8)15-7-10(12)13-14-15/h7-9H,1-6,11-12H2
InChIKeyMXUDDKBNAFRMQC-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

Analyze 1-[3-(2-aminoethyl)cyclohexyl]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-[3-(2-aminoethyl)cyclohexyl]triazol-4-amine?
The IUPAC name of 1-[3-(2-aminoethyl)cyclohexyl]triazol-4-amine (CID 112546084) is 1-[3-(2-aminoethyl)cyclohexyl]triazol-4-amine.
What is the SMILES notation for 1-[3-(2-aminoethyl)cyclohexyl]triazol-4-amine?
The canonical SMILES for 1-[3-(2-aminoethyl)cyclohexyl]triazol-4-amine is NCCC1CCCC(n2cc(N)nn2)C1.
What is the InChIKey of 1-[3-(2-aminoethyl)cyclohexyl]triazol-4-amine?
The InChIKey is MXUDDKBNAFRMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c11-5-4-8-2-1-3-9(6-8)15-7-10(12)13-14-15/h7-9H,1-6,11-12H2.
What are the key properties of 1-[3-(2-aminoethyl)cyclohexyl]triazol-4-amine?
1-[3-(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 1-[3-(2-aminoethyl)cyclohexyl]triazol-4-amine is sourced from PubChem (CID 112546084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).