1-phenyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol

C15H14N4O — CID 5311656

IUPAC1-phenyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol
SMILESOC(Cn1cncn1)(c1ccccc1)c1ccccn1
InChIInChI=1S/C15H14N4O/c20-15(10-19-12-16-11-18-19,13-6-2-1-3-7-13)14-8-4-5-9-17-14/h1-9,11-12,20H,10H2
InChIKeyNKCVLHDIAGJYOZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.61
Rot. Bonds4

About 1-phenyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol

1-phenyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol (PubChem CID 5311656) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-phenyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name1-phenyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol
PubChem CID5311656
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-phenyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol
SMILESOC(Cn1cncn1)(c1ccccc1)c1ccccn1
InChIInChI=1S/C15H14N4O/c20-15(10-19-12-16-11-18-19,13-6-2-1-3-7-13)14-8-4-5-9-17-14/h1-9,11-12,20H,10H2
InChIKeyNKCVLHDIAGJYOZ-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol?
The IUPAC name of 1-phenyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol (CID 5311656) is 1-phenyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for 1-phenyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for 1-phenyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol is OC(Cn1cncn1)(c1ccccc1)c1ccccn1.
What is the InChIKey of 1-phenyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol?
The InChIKey is NKCVLHDIAGJYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c20-15(10-19-12-16-11-18-19,13-6-2-1-3-7-13)14-8-4-5-9-17-14/h1-9,11-12,20H,10H2.
What are the key properties of 1-phenyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol?
1-phenyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol has a molecular weight of 266.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 5311656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).