3,4-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol

C11H19N3O — CID 114685052

IUPAC3,4-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
SMILESCC1CCC(O)(c2cnnn2C)CC1C
InChIInChI=1S/C11H19N3O/c1-8-4-5-11(15,6-9(8)2)10-7-12-13-14(10)3/h7-9,15H,4-6H2,1-3H3
InChIKeyBIIQCCIBQHASDC-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.46
Rot. Bonds1

About 3,4-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol

3,4-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol (PubChem CID 114685052) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3,4-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3,4-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
PubChem CID114685052
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3,4-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
SMILESCC1CCC(O)(c2cnnn2C)CC1C
InChIInChI=1S/C11H19N3O/c1-8-4-5-11(15,6-9(8)2)10-7-12-13-14(10)3/h7-9,15H,4-6H2,1-3H3
InChIKeyBIIQCCIBQHASDC-UHFFFAOYSA-N
XLogP1.46
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol?
The IUPAC name of 3,4-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol (CID 114685052) is 3,4-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol.
What is the SMILES notation for 3,4-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol?
The canonical SMILES for 3,4-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol is CC1CCC(O)(c2cnnn2C)CC1C.
What is the InChIKey of 3,4-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol?
The InChIKey is BIIQCCIBQHASDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-4-5-11(15,6-9(8)2)10-7-12-13-14(10)3/h7-9,15H,4-6H2,1-3H3.
What are the key properties of 3,4-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol?
3,4-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 114685052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).