1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanol

C15H14N4O — CID 114686391

IUPAC1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanol
SMILESOC(Cc1ccncc1)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H14N4O/c20-15(10-12-6-8-16-9-7-12)14-11-17-18-19(14)13-4-2-1-3-5-13/h1-9,11,15,20H,10H2
InChIKeyQQICCRJUZJLZEJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.94
Rot. Bonds4

About 1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanol

1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanol (PubChem CID 114686391) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanol.

Molecular Properties

Compound Name1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanol
PubChem CID114686391
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanol
SMILESOC(Cc1ccncc1)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H14N4O/c20-15(10-12-6-8-16-9-7-12)14-11-17-18-19(14)13-4-2-1-3-5-13/h1-9,11,15,20H,10H2
InChIKeyQQICCRJUZJLZEJ-UHFFFAOYSA-N
XLogP1.94
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-1-(3-phenyltriazol-4-yl)ethanol
CID 114686314
N-methyl-1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanamine
CID 114687507
2-(3-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol
CID 114686365
2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol
CID 114686363
(3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol
CID 105128605
2-methylsulfonyl-1-(3-phenyltriazol-4-yl)propan-1-ol
CID 115835918
1-(3-phenyltriazol-4-yl)butylhydrazine
CID 105202328
1-(4-methyl-3-pyridinyl)-2-phenylethanol
CID 66273306
1-(3-methylimidazol-4-yl)-2-phenylethanol
CID 66118824
(3-methoxy-4-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
CID 105066080
(3,4-difluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684827
(3-fluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684808

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanol?
The IUPAC name of 1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanol (CID 114686391) is 1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanol.
What is the SMILES notation for 1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanol?
The canonical SMILES for 1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanol is OC(Cc1ccncc1)c1cnnn1-c1ccccc1.
What is the InChIKey of 1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanol?
The InChIKey is QQICCRJUZJLZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c20-15(10-12-6-8-16-9-7-12)14-11-17-18-19(14)13-4-2-1-3-5-13/h1-9,11,15,20H,10H2.
What are the key properties of 1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanol?
1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanol has a molecular weight of 266.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanol is sourced from PubChem (CID 114686391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).