3-(2-phenyltetrazol-5-yl)pyridine

C12H9N5 — CID 1215208

IUPAC3-(2-phenyltetrazol-5-yl)pyridine
SMILESc1ccc(-n2nnc(-c3cccnc3)n2)cc1
InChIInChI=1S/C12H9N5/c1-2-6-11(7-3-1)17-15-12(14-16-17)10-5-4-8-13-9-10/h1-9H
InChIKeyNGSVAPVLMCRHLB-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.72
Rot. Bonds2

About 3-(2-phenyltetrazol-5-yl)pyridine

3-(2-phenyltetrazol-5-yl)pyridine (PubChem CID 1215208) has the molecular formula C12H9N5 and a molecular weight of 223.24 g/mol. Its IUPAC name is 3-(2-phenyltetrazol-5-yl)pyridine.

Molecular Properties

Compound Name3-(2-phenyltetrazol-5-yl)pyridine
PubChem CID1215208
Molecular FormulaC12H9N5
Molecular Weight223.24 g/mol
Exact Mass223.09
IUPAC Name3-(2-phenyltetrazol-5-yl)pyridine
SMILESc1ccc(-n2nnc(-c3cccnc3)n2)cc1
InChIInChI=1S/C12H9N5/c1-2-6-11(7-3-1)17-15-12(14-16-17)10-5-4-8-13-9-10/h1-9H
InChIKeyNGSVAPVLMCRHLB-UHFFFAOYSA-N
XLogP1.72
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenyltetrazol-5-yl)pyridine?
The IUPAC name of 3-(2-phenyltetrazol-5-yl)pyridine (CID 1215208) is 3-(2-phenyltetrazol-5-yl)pyridine.
What is the SMILES notation for 3-(2-phenyltetrazol-5-yl)pyridine?
The canonical SMILES for 3-(2-phenyltetrazol-5-yl)pyridine is c1ccc(-n2nnc(-c3cccnc3)n2)cc1.
What is the InChIKey of 3-(2-phenyltetrazol-5-yl)pyridine?
The InChIKey is NGSVAPVLMCRHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5/c1-2-6-11(7-3-1)17-15-12(14-16-17)10-5-4-8-13-9-10/h1-9H.
What are the key properties of 3-(2-phenyltetrazol-5-yl)pyridine?
3-(2-phenyltetrazol-5-yl)pyridine has a molecular weight of 223.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenyltetrazol-5-yl)pyridine is sourced from PubChem (CID 1215208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).