5-cyclohexyl-1-methyltriazol-4-amine

C9H16N4 — CID 105439082

IUPAC5-cyclohexyl-1-methyltriazol-4-amine
SMILESCn1nnc(N)c1C1CCCCC1
InChIInChI=1S/C9H16N4/c1-13-8(9(10)11-12-13)7-5-3-2-4-6-7/h7H,2-6,10H2,1H3
InChIKeyDVOCHGGUOWUIHG-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.45
Rot. Bonds1

About 5-cyclohexyl-1-methyltriazol-4-amine

5-cyclohexyl-1-methyltriazol-4-amine (PubChem CID 105439082) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-cyclohexyl-1-methyltriazol-4-amine.

Molecular Properties

Compound Name5-cyclohexyl-1-methyltriazol-4-amine
PubChem CID105439082
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name5-cyclohexyl-1-methyltriazol-4-amine
SMILESCn1nnc(N)c1C1CCCCC1
InChIInChI=1S/C9H16N4/c1-13-8(9(10)11-12-13)7-5-3-2-4-6-7/h7H,2-6,10H2,1H3
InChIKeyDVOCHGGUOWUIHG-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1-methyltriazol-4-amine?
The IUPAC name of 5-cyclohexyl-1-methyltriazol-4-amine (CID 105439082) is 5-cyclohexyl-1-methyltriazol-4-amine.
What is the SMILES notation for 5-cyclohexyl-1-methyltriazol-4-amine?
The canonical SMILES for 5-cyclohexyl-1-methyltriazol-4-amine is Cn1nnc(N)c1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-1-methyltriazol-4-amine?
The InChIKey is DVOCHGGUOWUIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-13-8(9(10)11-12-13)7-5-3-2-4-6-7/h7H,2-6,10H2,1H3.
What are the key properties of 5-cyclohexyl-1-methyltriazol-4-amine?
5-cyclohexyl-1-methyltriazol-4-amine has a molecular weight of 180.25 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-methyltriazol-4-amine is sourced from PubChem (CID 105439082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).