2,4-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol

C12H21N3O — CID 107046074

IUPAC2,4-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(Cc2cn(C)nn2)C(C)C1
InChIInChI=1S/C12H21N3O/c1-9-4-5-12(16,10(2)6-9)7-11-8-15(3)14-13-11/h8-10,16H,4-7H2,1-3H3
InChIKeyUXLXHGRTBXTGBG-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.54
Rot. Bonds2

About 2,4-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol

2,4-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol (PubChem CID 107046074) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol
PubChem CID107046074
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2,4-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(Cc2cn(C)nn2)C(C)C1
InChIInChI=1S/C12H21N3O/c1-9-4-5-12(16,10(2)6-9)7-11-8-15(3)14-13-11/h8-10,16H,4-7H2,1-3H3
InChIKeyUXLXHGRTBXTGBG-UHFFFAOYSA-N
XLogP1.54
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-ol
CID 130674404
4-methyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 107057485
1-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-ol
CID 107045687
1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol
CID 107045659
4-[(1-methyltriazol-4-yl)methyl]oxan-4-ol
CID 107045763
3-methyl-N-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-amine
CID 115671466
1-[(1-methyltriazol-4-yl)methyl]-4-propylcycloheptan-1-ol
CID 107046101
N-methyl-1-[4-methyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine
CID 107059268
2-methyl-3-[(1-methyltriazol-4-yl)methyl]cyclopentan-1-ol
CID 107055028
[1-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine
CID 107057422
2,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexan-1-ol
CID 65154121
1-(4-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046119

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 2,4-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol (CID 107046074) is 2,4-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2,4-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2,4-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol is CC1CCC(O)(Cc2cn(C)nn2)C(C)C1.
What is the InChIKey of 2,4-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol?
The InChIKey is UXLXHGRTBXTGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-4-5-12(16,10(2)6-9)7-11-8-15(3)14-13-11/h8-10,16H,4-7H2,1-3H3.
What are the key properties of 2,4-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol?
2,4-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 107046074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).