(3-ethylcyclohexyl)-(2-phenyltriazol-4-yl)methanol

C17H23N3O — CID 105104541

IUPAC(3-ethylcyclohexyl)-(2-phenyltriazol-4-yl)methanol
SMILESCCC1CCCC(C(O)c2cnn(-c3ccccc3)n2)C1
InChIInChI=1S/C17H23N3O/c1-2-13-7-6-8-14(11-13)17(21)16-12-18-20(19-16)15-9-4-3-5-10-15/h3-5,9-10,12-14,17,21H,2,6-8,11H2,1H3
InChIKeyINTVIALSOUZBKU-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.52
Rot. Bonds4

About (3-ethylcyclohexyl)-(2-phenyltriazol-4-yl)methanol

(3-ethylcyclohexyl)-(2-phenyltriazol-4-yl)methanol (PubChem CID 105104541) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(2-phenyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(2-phenyltriazol-4-yl)methanol
PubChem CID105104541
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(3-ethylcyclohexyl)-(2-phenyltriazol-4-yl)methanol
SMILESCCC1CCCC(C(O)c2cnn(-c3ccccc3)n2)C1
InChIInChI=1S/C17H23N3O/c1-2-13-7-6-8-14(11-13)17(21)16-12-18-20(19-16)15-9-4-3-5-10-15/h3-5,9-10,12-14,17,21H,2,6-8,11H2,1H3
InChIKeyINTVIALSOUZBKU-UHFFFAOYSA-N
XLogP3.52
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclobutyl-(2-phenyltriazol-4-yl)methyl]propan-1-amine
CID 105187480
(3-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanol
CID 66117130
[cyclopentyl-(2-phenyltriazol-4-yl)methyl]hydrazine
CID 105282381
(3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol
CID 66130637
(1,3-diethylpyrazol-5-yl)-(3-ethylcyclohexyl)methanol
CID 105104498
2-methyl-1-(2-phenyltriazol-4-yl)pentan-1-ol
CID 114013665
(3-ethylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114644051
4,4-dimethyl-1-(2-phenyltriazol-4-yl)pentan-1-ol
CID 105091547
(3-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
CID 65400333
cyclohexyl-(2-methyltriazol-4-yl)methanol
CID 130521712
(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol
CID 115808482
(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methanol
CID 107985730

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(2-phenyltriazol-4-yl)methanol?
The IUPAC name of (3-ethylcyclohexyl)-(2-phenyltriazol-4-yl)methanol (CID 105104541) is (3-ethylcyclohexyl)-(2-phenyltriazol-4-yl)methanol.
What is the SMILES notation for (3-ethylcyclohexyl)-(2-phenyltriazol-4-yl)methanol?
The canonical SMILES for (3-ethylcyclohexyl)-(2-phenyltriazol-4-yl)methanol is CCC1CCCC(C(O)c2cnn(-c3ccccc3)n2)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(2-phenyltriazol-4-yl)methanol?
The InChIKey is INTVIALSOUZBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-13-7-6-8-14(11-13)17(21)16-12-18-20(19-16)15-9-4-3-5-10-15/h3-5,9-10,12-14,17,21H,2,6-8,11H2,1H3.
What are the key properties of (3-ethylcyclohexyl)-(2-phenyltriazol-4-yl)methanol?
(3-ethylcyclohexyl)-(2-phenyltriazol-4-yl)methanol has a molecular weight of 285.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(2-phenyltriazol-4-yl)methanol is sourced from PubChem (CID 105104541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).