2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol

C13H10N4O — CID 918274

IUPAC2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol
SMILESOc1ccccc1-c1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C13H10N4O/c18-11-7-2-1-5-9(11)12-15-13(17-16-12)10-6-3-4-8-14-10/h1-8,18H,(H,15,16,17)
InChIKeyXIHFGQFLZWWLPW-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.24
Rot. Bonds2

About 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol

2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol (PubChem CID 918274) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol
PubChem CID918274
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol
SMILESOc1ccccc1-c1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C13H10N4O/c18-11-7-2-1-5-9(11)12-15-13(17-16-12)10-6-3-4-8-14-10/h1-8,18H,(H,15,16,17)
InChIKeyXIHFGQFLZWWLPW-UHFFFAOYSA-N
XLogP2.24
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol (CID 918274) is 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol is Oc1ccccc1-c1n[nH]c(-c2ccccn2)n1.
What is the InChIKey of 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol?
The InChIKey is XIHFGQFLZWWLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c18-11-7-2-1-5-9(11)12-15-13(17-16-12)10-6-3-4-8-14-10/h1-8,18H,(H,15,16,17).
What are the key properties of 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol?
2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol has a molecular weight of 238.25 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 918274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).