2-phenyl-2-(4-pyridin-2-yltriazol-1-yl)ethanol

C15H14N4O — CID 56649158

IUPAC2-phenyl-2-(4-pyridin-2-yltriazol-1-yl)ethanol
SMILESOCC(c1ccccc1)n1cc(-c2ccccn2)nn1
InChIInChI=1S/C15H14N4O/c20-11-15(12-6-2-1-3-7-12)19-10-14(17-18-19)13-8-4-5-9-16-13/h1-10,15,20H,11H2
InChIKeyKAKNKIMPLBYMOF-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.92
Rot. Bonds4

About 2-phenyl-2-(4-pyridin-2-yltriazol-1-yl)ethanol

2-phenyl-2-(4-pyridin-2-yltriazol-1-yl)ethanol (PubChem CID 56649158) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-phenyl-2-(4-pyridin-2-yltriazol-1-yl)ethanol.

Molecular Properties

Compound Name2-phenyl-2-(4-pyridin-2-yltriazol-1-yl)ethanol
PubChem CID56649158
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-phenyl-2-(4-pyridin-2-yltriazol-1-yl)ethanol
SMILESOCC(c1ccccc1)n1cc(-c2ccccn2)nn1
InChIInChI=1S/C15H14N4O/c20-11-15(12-6-2-1-3-7-12)19-10-14(17-18-19)13-8-4-5-9-16-13/h1-10,15,20H,11H2
InChIKeyKAKNKIMPLBYMOF-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(4-pyridin-2-yltriazol-1-yl)ethanol?
The IUPAC name of 2-phenyl-2-(4-pyridin-2-yltriazol-1-yl)ethanol (CID 56649158) is 2-phenyl-2-(4-pyridin-2-yltriazol-1-yl)ethanol.
What is the SMILES notation for 2-phenyl-2-(4-pyridin-2-yltriazol-1-yl)ethanol?
The canonical SMILES for 2-phenyl-2-(4-pyridin-2-yltriazol-1-yl)ethanol is OCC(c1ccccc1)n1cc(-c2ccccn2)nn1.
What is the InChIKey of 2-phenyl-2-(4-pyridin-2-yltriazol-1-yl)ethanol?
The InChIKey is KAKNKIMPLBYMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c20-11-15(12-6-2-1-3-7-12)19-10-14(17-18-19)13-8-4-5-9-16-13/h1-10,15,20H,11H2.
What are the key properties of 2-phenyl-2-(4-pyridin-2-yltriazol-1-yl)ethanol?
2-phenyl-2-(4-pyridin-2-yltriazol-1-yl)ethanol has a molecular weight of 266.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(4-pyridin-2-yltriazol-1-yl)ethanol is sourced from PubChem (CID 56649158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).