2-(2-methyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol

C14H14N4O — CID 105107161

IUPAC2-(2-methyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol
SMILESCn1ncnc1CC(O)c1cccc2ncccc12
InChIInChI=1S/C14H14N4O/c1-18-14(16-9-17-18)8-13(19)11-4-2-6-12-10(11)5-3-7-15-12/h2-7,9,13,19H,8H2,1H3
InChIKeyISTUHZOTOWBSHK-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.64
Rot. Bonds3

About 2-(2-methyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol

2-(2-methyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol (PubChem CID 105107161) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(2-methyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol.

Molecular Properties

Compound Name2-(2-methyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol
PubChem CID105107161
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-(2-methyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol
SMILESCn1ncnc1CC(O)c1cccc2ncccc12
InChIInChI=1S/C14H14N4O/c1-18-14(16-9-17-18)8-13(19)11-4-2-6-12-10(11)5-3-7-15-12/h2-7,9,13,19H,8H2,1H3
InChIKeyISTUHZOTOWBSHK-UHFFFAOYSA-N
XLogP1.64
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol
CID 105109180
2-(1-methylimidazol-2-yl)-1-quinolin-5-ylethanol
CID 105113593
2-(1-ethylimidazol-2-yl)-1-quinolin-5-ylethanol
CID 105112369
1-(2-methylsulfanylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 115812649
1-(3-chloro-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 103443585
2-(3-chlorophenyl)-1-quinolin-5-ylethanol
CID 81220656
(1R)-1-quinolin-5-ylethanol
CID 86326294
3-methoxy-1-quinolin-5-ylpropan-1-ol
CID 81220357
2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanol
CID 105109150
1-(2-methyl-3-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 105159432
3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-ol
CID 103027648
1-(2-amino-5-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 82685780

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol?
The IUPAC name of 2-(2-methyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol (CID 105107161) is 2-(2-methyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol.
What is the SMILES notation for 2-(2-methyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol?
The canonical SMILES for 2-(2-methyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol is Cn1ncnc1CC(O)c1cccc2ncccc12.
What is the InChIKey of 2-(2-methyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol?
The InChIKey is ISTUHZOTOWBSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-18-14(16-9-17-18)8-13(19)11-4-2-6-12-10(11)5-3-7-15-12/h2-7,9,13,19H,8H2,1H3.
What are the key properties of 2-(2-methyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol?
2-(2-methyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol has a molecular weight of 254.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol is sourced from PubChem (CID 105107161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).