4-(methoxymethyl)-1-(3-methylcyclohexyl)triazole

C11H19N3O — CID 130274147

IUPAC4-(methoxymethyl)-1-(3-methylcyclohexyl)triazole
SMILESCOCc1cn(C2CCCC(C)C2)nn1
InChIInChI=1S/C11H19N3O/c1-9-4-3-5-11(6-9)14-7-10(8-15-2)12-13-14/h7,9,11H,3-6,8H2,1-2H3
InChIKeyQIJXMRARYHBQHQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.18
Rot. Bonds3

About 4-(methoxymethyl)-1-(3-methylcyclohexyl)triazole

4-(methoxymethyl)-1-(3-methylcyclohexyl)triazole (PubChem CID 130274147) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-(3-methylcyclohexyl)triazole.

Molecular Properties

Compound Name4-(methoxymethyl)-1-(3-methylcyclohexyl)triazole
PubChem CID130274147
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-(methoxymethyl)-1-(3-methylcyclohexyl)triazole
SMILESCOCc1cn(C2CCCC(C)C2)nn1
InChIInChI=1S/C11H19N3O/c1-9-4-3-5-11(6-9)14-7-10(8-15-2)12-13-14/h7,9,11H,3-6,8H2,1-2H3
InChIKeyQIJXMRARYHBQHQ-UHFFFAOYSA-N
XLogP2.18
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(methoxymethyl)-1-(3-methylcyclohexyl)triazole 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 4-(methoxymethyl)-1-(3-methylcyclohexyl)triazole?
The IUPAC name of 4-(methoxymethyl)-1-(3-methylcyclohexyl)triazole (CID 130274147) is 4-(methoxymethyl)-1-(3-methylcyclohexyl)triazole.
What is the SMILES notation for 4-(methoxymethyl)-1-(3-methylcyclohexyl)triazole?
The canonical SMILES for 4-(methoxymethyl)-1-(3-methylcyclohexyl)triazole is COCc1cn(C2CCCC(C)C2)nn1.
What is the InChIKey of 4-(methoxymethyl)-1-(3-methylcyclohexyl)triazole?
The InChIKey is QIJXMRARYHBQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-4-3-5-11(6-9)14-7-10(8-15-2)12-13-14/h7,9,11H,3-6,8H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-1-(3-methylcyclohexyl)triazole?
4-(methoxymethyl)-1-(3-methylcyclohexyl)triazole has a molecular weight of 209.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-(3-methylcyclohexyl)triazole is sourced from PubChem (CID 130274147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).