3-(5-pyridin-2-yltetrazol-2-yl)benzonitrile

C13H8N6 — CID 10198811

IUPAC3-(5-pyridin-2-yltetrazol-2-yl)benzonitrile
SMILESN#Cc1cccc(-n2nnc(-c3ccccn3)n2)c1
InChIInChI=1S/C13H8N6/c14-9-10-4-3-5-11(8-10)19-17-13(16-18-19)12-6-1-2-7-15-12/h1-8H
InChIKeyOGIBYDWBTRKAOL-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.60
Rot. Bonds2

About 3-(5-pyridin-2-yltetrazol-2-yl)benzonitrile

3-(5-pyridin-2-yltetrazol-2-yl)benzonitrile (PubChem CID 10198811) has the molecular formula C13H8N6 and a molecular weight of 248.25 g/mol. Its IUPAC name is 3-(5-pyridin-2-yltetrazol-2-yl)benzonitrile.

Molecular Properties

Compound Name3-(5-pyridin-2-yltetrazol-2-yl)benzonitrile
PubChem CID10198811
Molecular FormulaC13H8N6
Molecular Weight248.25 g/mol
Exact Mass248.08
IUPAC Name3-(5-pyridin-2-yltetrazol-2-yl)benzonitrile
SMILESN#Cc1cccc(-n2nnc(-c3ccccn3)n2)c1
InChIInChI=1S/C13H8N6/c14-9-10-4-3-5-11(8-10)19-17-13(16-18-19)12-6-1-2-7-15-12/h1-8H
InChIKeyOGIBYDWBTRKAOL-UHFFFAOYSA-N
XLogP1.60
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-pyridin-2-yltetrazol-2-yl)benzonitrile?
The IUPAC name of 3-(5-pyridin-2-yltetrazol-2-yl)benzonitrile (CID 10198811) is 3-(5-pyridin-2-yltetrazol-2-yl)benzonitrile.
What is the SMILES notation for 3-(5-pyridin-2-yltetrazol-2-yl)benzonitrile?
The canonical SMILES for 3-(5-pyridin-2-yltetrazol-2-yl)benzonitrile is N#Cc1cccc(-n2nnc(-c3ccccn3)n2)c1.
What is the InChIKey of 3-(5-pyridin-2-yltetrazol-2-yl)benzonitrile?
The InChIKey is OGIBYDWBTRKAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N6/c14-9-10-4-3-5-11(8-10)19-17-13(16-18-19)12-6-1-2-7-15-12/h1-8H.
What are the key properties of 3-(5-pyridin-2-yltetrazol-2-yl)benzonitrile?
3-(5-pyridin-2-yltetrazol-2-yl)benzonitrile has a molecular weight of 248.25 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-pyridin-2-yltetrazol-2-yl)benzonitrile is sourced from PubChem (CID 10198811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).