1-(3-methylcyclohexyl)triazol-4-amine

C9H16N4 — CID 79543082

IUPAC1-(3-methylcyclohexyl)triazol-4-amine
SMILESCC1CCCC(n2cc(N)nn2)C1
InChIInChI=1S/C9H16N4/c1-7-3-2-4-8(5-7)13-6-9(10)11-12-13/h6-8H,2-5,10H2,1H3
InChIKeyRHZAYGSNQUAFNM-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.61
Rot. Bonds1

About 1-(3-methylcyclohexyl)triazol-4-amine

1-(3-methylcyclohexyl)triazol-4-amine (PubChem CID 79543082) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)triazol-4-amine.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)triazol-4-amine
PubChem CID79543082
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-(3-methylcyclohexyl)triazol-4-amine
SMILESCC1CCCC(n2cc(N)nn2)C1
InChIInChI=1S/C9H16N4/c1-7-3-2-4-8(5-7)13-6-9(10)11-12-13/h6-8H,2-5,10H2,1H3
InChIKeyRHZAYGSNQUAFNM-UHFFFAOYSA-N
XLogP1.61
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)triazol-4-amine?
The IUPAC name of 1-(3-methylcyclohexyl)triazol-4-amine (CID 79543082) is 1-(3-methylcyclohexyl)triazol-4-amine.
What is the SMILES notation for 1-(3-methylcyclohexyl)triazol-4-amine?
The canonical SMILES for 1-(3-methylcyclohexyl)triazol-4-amine is CC1CCCC(n2cc(N)nn2)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)triazol-4-amine?
The InChIKey is RHZAYGSNQUAFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7-3-2-4-8(5-7)13-6-9(10)11-12-13/h6-8H,2-5,10H2,1H3.
What are the key properties of 1-(3-methylcyclohexyl)triazol-4-amine?
1-(3-methylcyclohexyl)triazol-4-amine has a molecular weight of 180.25 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)triazol-4-amine is sourced from PubChem (CID 79543082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).