1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanol

C14H14N4O — CID 81444006

IUPAC1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanol
SMILESCC(O)c1cn(Cc2ccc3ncccc3c2)nn1
InChIInChI=1S/C14H14N4O/c1-10(19)14-9-18(17-16-14)8-11-4-5-13-12(7-11)3-2-6-15-13/h2-7,9-10,19H,8H2,1H3
InChIKeySGFLUJKDIDYEDE-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.93
Rot. Bonds3

About 1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanol

1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanol (PubChem CID 81444006) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanol
PubChem CID81444006
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanol
SMILESCC(O)c1cn(Cc2ccc3ncccc3c2)nn1
InChIInChI=1S/C14H14N4O/c1-10(19)14-9-18(17-16-14)8-11-4-5-13-12(7-11)3-2-6-15-13/h2-7,9-10,19H,8H2,1H3
InChIKeySGFLUJKDIDYEDE-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanamine
CID 114419542
1-(1-quinolin-6-yltriazol-4-yl)ethanol
CID 81444375
(1S)-1-(1-benzyltriazol-4-yl)ethanol
CID 75176225
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol
CID 59341838
(1R)-1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanol
CID 67547455
1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanol
CID 81444396
N-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]acetamide
CID 154780881
1-[1-[(4-tert-butylphenyl)methyl]triazol-4-yl]ethanol
CID 81444577
1-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]piperidin-4-amine
CID 146081748
1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]propan-2-ol
CID 53262064
N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]cyclopropanesulfonamide
CID 154782396
1-[methyl(quinolin-6-ylmethyl)amino]propan-2-ol
CID 62335047

Frequently Asked Questions

What is the IUPAC name of 1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanol?
The IUPAC name of 1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanol (CID 81444006) is 1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanol is CC(O)c1cn(Cc2ccc3ncccc3c2)nn1.
What is the InChIKey of 1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanol?
The InChIKey is SGFLUJKDIDYEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-10(19)14-9-18(17-16-14)8-11-4-5-13-12(7-11)3-2-6-15-13/h2-7,9-10,19H,8H2,1H3.
What are the key properties of 1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanol?
1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanol has a molecular weight of 254.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanol is sourced from PubChem (CID 81444006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).