1-(4-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanol

C12H21N3O — CID 107046119

IUPAC1-(4-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCC1CCC(C(O)Cc2cn(C)nn2)CC1
InChIInChI=1S/C12H21N3O/c1-9-3-5-10(6-4-9)12(16)7-11-8-15(2)14-13-11/h8-10,12,16H,3-7H2,1-2H3
InChIKeyYGHONRIZRAGATQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.54
Rot. Bonds3

About 1-(4-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanol

1-(4-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanol (PubChem CID 107046119) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanol
PubChem CID107046119
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(4-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCC1CCC(C(O)Cc2cn(C)nn2)CC1
InChIInChI=1S/C12H21N3O/c1-9-3-5-10(6-4-9)12(16)7-11-8-15(2)14-13-11/h8-10,12,16H,3-7H2,1-2H3
InChIKeyYGHONRIZRAGATQ-UHFFFAOYSA-N
XLogP1.54
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

1-cyclobutyl-2-(1-methyltriazol-4-yl)ethanol
CID 107046208
2-(1-methyltriazol-4-yl)-1-(oxan-4-yl)ethanol
CID 107045995
2-cyclopentyl-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107057890
2-[(1-methyltriazol-4-yl)methyl]propane-1,3-diol
CID 107058357
1-(1,1-dioxothian-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065689
1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107045999
1-(cyclopropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057618
1-(1,4-dithian-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107047995
2-cyclopentyl-3-(1-methyltriazol-4-yl)propanoic acid
CID 107045186
1-(4-ethylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107049489
2-amino-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107055170
(2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid
CID 124681337

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of 1-(4-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanol (CID 107046119) is 1-(4-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(4-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(4-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanol is CC1CCC(C(O)Cc2cn(C)nn2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanol?
The InChIKey is YGHONRIZRAGATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-3-5-10(6-4-9)12(16)7-11-8-15(2)14-13-11/h8-10,12,16H,3-7H2,1-2H3.
What are the key properties of 1-(4-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanol?
1-(4-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 107046119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).