2-ethenyl-2-(tetrazol-1-yl)-1H-pyridine

C8H9N5 — CID 122455653

IUPAC2-ethenyl-2-(tetrazol-1-yl)-1H-pyridine
SMILESC=CC1(n2cnnn2)C=CC=CN1
InChIInChI=1S/C8H9N5/c1-2-8(5-3-4-6-9-8)13-7-10-11-12-13/h2-7,9H,1H2
InChIKeyYWJHNGOPYUTANX-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.19
Rot. Bonds2

About 2-ethenyl-2-(tetrazol-1-yl)-1H-pyridine

2-ethenyl-2-(tetrazol-1-yl)-1H-pyridine (PubChem CID 122455653) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-ethenyl-2-(tetrazol-1-yl)-1H-pyridine.

Molecular Properties

Compound Name2-ethenyl-2-(tetrazol-1-yl)-1H-pyridine
PubChem CID122455653
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name2-ethenyl-2-(tetrazol-1-yl)-1H-pyridine
SMILESC=CC1(n2cnnn2)C=CC=CN1
InChIInChI=1S/C8H9N5/c1-2-8(5-3-4-6-9-8)13-7-10-11-12-13/h2-7,9H,1H2
InChIKeyYWJHNGOPYUTANX-UHFFFAOYSA-N
XLogP0.19
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-(tetrazol-1-yl)-1H-pyridine?
The IUPAC name of 2-ethenyl-2-(tetrazol-1-yl)-1H-pyridine (CID 122455653) is 2-ethenyl-2-(tetrazol-1-yl)-1H-pyridine.
What is the SMILES notation for 2-ethenyl-2-(tetrazol-1-yl)-1H-pyridine?
The canonical SMILES for 2-ethenyl-2-(tetrazol-1-yl)-1H-pyridine is C=CC1(n2cnnn2)C=CC=CN1.
What is the InChIKey of 2-ethenyl-2-(tetrazol-1-yl)-1H-pyridine?
The InChIKey is YWJHNGOPYUTANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-2-8(5-3-4-6-9-8)13-7-10-11-12-13/h2-7,9H,1H2.
What are the key properties of 2-ethenyl-2-(tetrazol-1-yl)-1H-pyridine?
2-ethenyl-2-(tetrazol-1-yl)-1H-pyridine has a molecular weight of 175.19 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-(tetrazol-1-yl)-1H-pyridine is sourced from PubChem (CID 122455653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).