3-cyclohexyltriazol-4-amine

C8H14N4 — CID 105433227

IUPAC3-cyclohexyltriazol-4-amine
SMILESNc1cnnn1C1CCCCC1
InChIInChI=1S/C8H14N4/c9-8-6-10-11-12(8)7-4-2-1-3-5-7/h6-7H,1-5,9H2
InChIKeyFGQHRXWHMYKIEA-UHFFFAOYSA-N
MW166.23 g/mol
LogP1.37
Rot. Bonds1

About 3-cyclohexyltriazol-4-amine

3-cyclohexyltriazol-4-amine (PubChem CID 105433227) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 3-cyclohexyltriazol-4-amine.

Molecular Properties

Compound Name3-cyclohexyltriazol-4-amine
PubChem CID105433227
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name3-cyclohexyltriazol-4-amine
SMILESNc1cnnn1C1CCCCC1
InChIInChI=1S/C8H14N4/c9-8-6-10-11-12(8)7-4-2-1-3-5-7/h6-7H,1-5,9H2
InChIKeyFGQHRXWHMYKIEA-UHFFFAOYSA-N
XLogP1.37
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyltriazol-4-amine?
The IUPAC name of 3-cyclohexyltriazol-4-amine (CID 105433227) is 3-cyclohexyltriazol-4-amine.
What is the SMILES notation for 3-cyclohexyltriazol-4-amine?
The canonical SMILES for 3-cyclohexyltriazol-4-amine is Nc1cnnn1C1CCCCC1.
What is the InChIKey of 3-cyclohexyltriazol-4-amine?
The InChIKey is FGQHRXWHMYKIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c9-8-6-10-11-12(8)7-4-2-1-3-5-7/h6-7H,1-5,9H2.
What are the key properties of 3-cyclohexyltriazol-4-amine?
3-cyclohexyltriazol-4-amine has a molecular weight of 166.23 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyltriazol-4-amine is sourced from PubChem (CID 105433227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).