[1-(quinolin-2-ylmethyl)triazol-4-yl]methanol

C13H12N4O — CID 56594560

IUPAC[1-(quinolin-2-ylmethyl)triazol-4-yl]methanol
SMILESOCc1cn(Cc2ccc3ccccc3n2)nn1
InChIInChI=1S/C13H12N4O/c18-9-12-8-17(16-15-12)7-11-6-5-10-3-1-2-4-13(10)14-11/h1-6,8,18H,7,9H2
InChIKeyYJHMEVIZYGQHHQ-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.37
Rot. Bonds3

About [1-(quinolin-2-ylmethyl)triazol-4-yl]methanol

[1-(quinolin-2-ylmethyl)triazol-4-yl]methanol (PubChem CID 56594560) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is [1-(quinolin-2-ylmethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(quinolin-2-ylmethyl)triazol-4-yl]methanol
PubChem CID56594560
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name[1-(quinolin-2-ylmethyl)triazol-4-yl]methanol
SMILESOCc1cn(Cc2ccc3ccccc3n2)nn1
InChIInChI=1S/C13H12N4O/c18-9-12-8-17(16-15-12)7-11-6-5-10-3-1-2-4-13(10)14-11/h1-6,8,18H,7,9H2
InChIKeyYJHMEVIZYGQHHQ-UHFFFAOYSA-N
XLogP1.37
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(quinolin-2-ylmethyl)triazol-4-yl]methanol?
The IUPAC name of [1-(quinolin-2-ylmethyl)triazol-4-yl]methanol (CID 56594560) is [1-(quinolin-2-ylmethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(quinolin-2-ylmethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(quinolin-2-ylmethyl)triazol-4-yl]methanol is OCc1cn(Cc2ccc3ccccc3n2)nn1.
What is the InChIKey of [1-(quinolin-2-ylmethyl)triazol-4-yl]methanol?
The InChIKey is YJHMEVIZYGQHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c18-9-12-8-17(16-15-12)7-11-6-5-10-3-1-2-4-13(10)14-11/h1-6,8,18H,7,9H2.
What are the key properties of [1-(quinolin-2-ylmethyl)triazol-4-yl]methanol?
[1-(quinolin-2-ylmethyl)triazol-4-yl]methanol has a molecular weight of 240.27 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(quinolin-2-ylmethyl)triazol-4-yl]methanol is sourced from PubChem (CID 56594560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).