1-phenyl-4-(2H-triazol-4-yl)-2H-pyridine

C13H12N4 — CID 135393614

IUPAC1-phenyl-4-(2H-triazol-4-yl)-2H-pyridine
SMILESC1=CN(c2ccccc2)CC=C1c1cn[nH]n1
InChIInChI=1S/C13H12N4/c1-2-4-12(5-3-1)17-8-6-11(7-9-17)13-10-14-16-15-13/h1-8,10H,9H2,(H,14,15,16)
InChIKeyWLHRNDLGRMOAFA-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.22
Rot. Bonds2

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

1-phenyl-4-(2H-triazol-4-yl)-2H-pyridine (PubChem CID 135393614) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-phenyl-4-(2H-triazol-4-yl)-2H-pyridine.

Molecular Properties

Compound Name1-phenyl-4-(2H-triazol-4-yl)-2H-pyridine
PubChem CID135393614
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name1-phenyl-4-(2H-triazol-4-yl)-2H-pyridine
SMILESC1=CN(c2ccccc2)CC=C1c1cn[nH]n1
InChIInChI=1S/C13H12N4/c1-2-4-12(5-3-1)17-8-6-11(7-9-17)13-10-14-16-15-13/h1-8,10H,9H2,(H,14,15,16)
InChIKeyWLHRNDLGRMOAFA-UHFFFAOYSA-N
XLogP2.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(2H-triazol-4-yl)-2H-pyridine?
The IUPAC name of 1-phenyl-4-(2H-triazol-4-yl)-2H-pyridine (CID 135393614) is 1-phenyl-4-(2H-triazol-4-yl)-2H-pyridine.
What is the SMILES notation for 1-phenyl-4-(2H-triazol-4-yl)-2H-pyridine?
The canonical SMILES for 1-phenyl-4-(2H-triazol-4-yl)-2H-pyridine is C1=CN(c2ccccc2)CC=C1c1cn[nH]n1.
What is the InChIKey of 1-phenyl-4-(2H-triazol-4-yl)-2H-pyridine?
The InChIKey is WLHRNDLGRMOAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-2-4-12(5-3-1)17-8-6-11(7-9-17)13-10-14-16-15-13/h1-8,10H,9H2,(H,14,15,16).
What are the key properties of 1-phenyl-4-(2H-triazol-4-yl)-2H-pyridine?
1-phenyl-4-(2H-triazol-4-yl)-2H-pyridine has a molecular weight of 224.27 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(2H-triazol-4-yl)-2H-pyridine is sourced from PubChem (CID 135393614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).