3-(tetrazol-1-yl)pyridine

C6H5N5 — CID 11217334

IUPAC3-(tetrazol-1-yl)pyridine
SMILESc1cncc(-n2cnnn2)c1
InChIInChI=1S/C6H5N5/c1-2-6(4-7-3-1)11-5-8-9-10-11/h1-5H
InChIKeyJQGKKTUHZXGATO-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.06
Rot. Bonds1

About 3-(tetrazol-1-yl)pyridine

3-(tetrazol-1-yl)pyridine (PubChem CID 11217334) has the molecular formula C6H5N5 and a molecular weight of 147.14 g/mol. Its IUPAC name is 3-(tetrazol-1-yl)pyridine.

Molecular Properties

Compound Name3-(tetrazol-1-yl)pyridine
PubChem CID11217334
Molecular FormulaC6H5N5
Molecular Weight147.14 g/mol
Exact Mass147.05
IUPAC Name3-(tetrazol-1-yl)pyridine
SMILESc1cncc(-n2cnnn2)c1
InChIInChI=1S/C6H5N5/c1-2-6(4-7-3-1)11-5-8-9-10-11/h1-5H
InChIKeyJQGKKTUHZXGATO-UHFFFAOYSA-N
XLogP0.06
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(tetrazol-1-yl)pyridine?
The IUPAC name of 3-(tetrazol-1-yl)pyridine (CID 11217334) is 3-(tetrazol-1-yl)pyridine.
What is the SMILES notation for 3-(tetrazol-1-yl)pyridine?
The canonical SMILES for 3-(tetrazol-1-yl)pyridine is c1cncc(-n2cnnn2)c1.
What is the InChIKey of 3-(tetrazol-1-yl)pyridine?
The InChIKey is JQGKKTUHZXGATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5/c1-2-6(4-7-3-1)11-5-8-9-10-11/h1-5H.
What are the key properties of 3-(tetrazol-1-yl)pyridine?
3-(tetrazol-1-yl)pyridine has a molecular weight of 147.14 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetrazol-1-yl)pyridine is sourced from PubChem (CID 11217334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).