4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine

C13H10N4 — CID 4570745

IUPAC4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
SMILESc1ccc(-c2n[nH]c(-c3ccncc3)n2)cc1
InChIInChI=1S/C13H10N4/c1-2-4-10(5-3-1)12-15-13(17-16-12)11-6-8-14-9-7-11/h1-9H,(H,15,16,17)
InChIKeyFFKGGRPAHKNYHP-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.53
Rot. Bonds2

About 4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine

4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine (PubChem CID 4570745) has the molecular formula C13H10N4 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine.

Molecular Properties

Compound Name4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
PubChem CID4570745
Molecular FormulaC13H10N4
Molecular Weight222.25 g/mol
Exact Mass222.09
IUPAC Name4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
SMILESc1ccc(-c2n[nH]c(-c3ccncc3)n2)cc1
InChIInChI=1S/C13H10N4/c1-2-4-10(5-3-1)12-15-13(17-16-12)11-6-8-14-9-7-11/h1-9H,(H,15,16,17)
InChIKeyFFKGGRPAHKNYHP-UHFFFAOYSA-N
XLogP2.53
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine?
The IUPAC name of 4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine (CID 4570745) is 4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine.
What is the SMILES notation for 4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine?
The canonical SMILES for 4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine is c1ccc(-c2n[nH]c(-c3ccncc3)n2)cc1.
What is the InChIKey of 4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine?
The InChIKey is FFKGGRPAHKNYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4/c1-2-4-10(5-3-1)12-15-13(17-16-12)11-6-8-14-9-7-11/h1-9H,(H,15,16,17).
What are the key properties of 4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine?
4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine has a molecular weight of 222.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine is sourced from PubChem (CID 4570745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).