(4-ethylcyclohexyl)-(3-methyltriazol-4-yl)methanol

C12H21N3O — CID 114686506

IUPAC(4-ethylcyclohexyl)-(3-methyltriazol-4-yl)methanol
SMILESCCC1CCC(C(O)c2cnnn2C)CC1
InChIInChI=1S/C12H21N3O/c1-3-9-4-6-10(7-5-9)12(16)11-8-13-14-15(11)2/h8-10,12,16H,3-7H2,1-2H3
InChIKeyRNOZYMWBWQTPFK-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.06
Rot. Bonds3

About (4-ethylcyclohexyl)-(3-methyltriazol-4-yl)methanol

(4-ethylcyclohexyl)-(3-methyltriazol-4-yl)methanol (PubChem CID 114686506) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (4-ethylcyclohexyl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(4-ethylcyclohexyl)-(3-methyltriazol-4-yl)methanol
PubChem CID114686506
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(4-ethylcyclohexyl)-(3-methyltriazol-4-yl)methanol
SMILESCCC1CCC(C(O)c2cnnn2C)CC1
InChIInChI=1S/C12H21N3O/c1-3-9-4-6-10(7-5-9)12(16)11-8-13-14-15(11)2/h8-10,12,16H,3-7H2,1-2H3
InChIKeyRNOZYMWBWQTPFK-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol
CID 114685116
(2,5-dimethylpyrazol-3-yl)-(4-ethylcyclohexyl)methanol
CID 105103730
1-(3-methyltriazol-4-yl)-2-(thian-4-yl)ethanol
CID 105128683
6-bicyclo[3.1.0]hexanyl-(3-methyltriazol-4-yl)methanol
CID 115835967
cyclopentyl-(3-propyltriazol-4-yl)methanol
CID 114684940
(3-propyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105127137
(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
CID 65393926
2-bicyclo[2.2.1]heptanyl-(3-methyltriazol-4-yl)methanol
CID 114686755
(4-ethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
CID 66273542
2-amino-1-(3-methyltriazol-4-yl)ethanol
CID 114685353
(2,2-dimethylcyclopentyl)-(3-methyltriazol-4-yl)methanol
CID 107192940
2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol
CID 115834151

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of (4-ethylcyclohexyl)-(3-methyltriazol-4-yl)methanol (CID 114686506) is (4-ethylcyclohexyl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (4-ethylcyclohexyl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for (4-ethylcyclohexyl)-(3-methyltriazol-4-yl)methanol is CCC1CCC(C(O)c2cnnn2C)CC1.
What is the InChIKey of (4-ethylcyclohexyl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is RNOZYMWBWQTPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-9-4-6-10(7-5-9)12(16)11-8-13-14-15(11)2/h8-10,12,16H,3-7H2,1-2H3.
What are the key properties of (4-ethylcyclohexyl)-(3-methyltriazol-4-yl)methanol?
(4-ethylcyclohexyl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 223.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexyl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 114686506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).