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

C14H17N3O — CID 107046180

IUPAC1-(4-cyclopropylphenyl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2ccc(C3CC3)cc2)nn1
InChIInChI=1S/C14H17N3O/c1-17-9-13(15-16-17)8-14(18)12-6-4-11(5-7-12)10-2-3-10/h4-7,9-10,14,18H,2-3,8H2,1H3
InChIKeyCYGTWOAQQTYBOO-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.97
Rot. Bonds4

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

1-(4-cyclopropylphenyl)-2-(1-methyltriazol-4-yl)ethanol (PubChem CID 107046180) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-2-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-2-(1-methyltriazol-4-yl)ethanol
PubChem CID107046180
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(4-cyclopropylphenyl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2ccc(C3CC3)cc2)nn1
InChIInChI=1S/C14H17N3O/c1-17-9-13(15-16-17)8-14(18)12-6-4-11(5-7-12)10-2-3-10/h4-7,9-10,14,18H,2-3,8H2,1H3
InChIKeyCYGTWOAQQTYBOO-UHFFFAOYSA-N
XLogP1.97
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methyl-3-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046410
1-(4-cyclopropylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 79980806
1-(4-cyclopropylphenyl)-2-pyridin-2-ylethanol
CID 79980417
1-(1-ethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046191
1-(3,5-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045928
1-cyclobutyl-2-(1-methyltriazol-4-yl)ethanol
CID 107046208
1-(5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045954
2-(1-methyltriazol-4-yl)-1-(oxan-4-yl)ethanol
CID 107045995
1-(5-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045816
1-(4-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046119
1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065610
1-(cyclopropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057618

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-2-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of 1-(4-cyclopropylphenyl)-2-(1-methyltriazol-4-yl)ethanol (CID 107046180) is 1-(4-cyclopropylphenyl)-2-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-2-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(4-cyclopropylphenyl)-2-(1-methyltriazol-4-yl)ethanol is Cn1cc(CC(O)c2ccc(C3CC3)cc2)nn1.
What is the InChIKey of 1-(4-cyclopropylphenyl)-2-(1-methyltriazol-4-yl)ethanol?
The InChIKey is CYGTWOAQQTYBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17-9-13(15-16-17)8-14(18)12-6-4-11(5-7-12)10-2-3-10/h4-7,9-10,14,18H,2-3,8H2,1H3.
What are the key properties of 1-(4-cyclopropylphenyl)-2-(1-methyltriazol-4-yl)ethanol?
1-(4-cyclopropylphenyl)-2-(1-methyltriazol-4-yl)ethanol has a molecular weight of 243.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)-2-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 107046180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).