5-nitrotetrazolo[1,5-a]pyridine

C5H3N5O2 — CID 19108230

IUPAC5-nitrotetrazolo[1,5-a]pyridine
SMILESO=[N+]([O-])c1cccc2nnnn12
InChIInChI=1S/C5H3N5O2/c11-10(12)5-3-1-2-4-6-7-8-9(4)5/h1-3H
InChIKeyQGDWDFYLKGUBEY-UHFFFAOYSA-N
MW165.11 g/mol
LogP0.03
Rot. Bonds1

About 5-nitrotetrazolo[1,5-a]pyridine

5-nitrotetrazolo[1,5-a]pyridine (PubChem CID 19108230) has the molecular formula C5H3N5O2 and a molecular weight of 165.11 g/mol. Its IUPAC name is 5-nitrotetrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-nitrotetrazolo[1,5-a]pyridine
PubChem CID19108230
Molecular FormulaC5H3N5O2
Molecular Weight165.11 g/mol
Exact Mass165.03
IUPAC Name5-nitrotetrazolo[1,5-a]pyridine
SMILESO=[N+]([O-])c1cccc2nnnn12
InChIInChI=1S/C5H3N5O2/c11-10(12)5-3-1-2-4-6-7-8-9(4)5/h1-3H
InChIKeyQGDWDFYLKGUBEY-UHFFFAOYSA-N
XLogP0.03
TPSA86.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-nitroimidazo[1,2-b]pyridazine
CID 16740706
tetrazolo[1,5-a]pyridine-5-carboximidamide
CID 83873084
3-(1-methyl-5-nitroimidazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 21455952
tetrazolo[1,5-a]quinoline-9-carbaldehyde
CID 96621179
1-chloro-5-nitrotetrazole
CID 69030481
1-[(3-nitrophenyl)methyl]tetrazol-5-amine
CID 777340
6-[(2-nitro-3-pyridinyl)oxy]tetrazolo[1,5-b]pyridazine
CID 46683882
1-cyclopentyl-5-[(3-nitrophenyl)methylsulfanyl]tetrazole
CID 27093992
3-nitro-2-(1-propan-2-yltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridine
CID 18095953
5-[(2-nitrophenyl)disulfanyl]-1-phenyltetrazole
CID 14454124
4-nitrotetrazolo[1,5-a][1,7]naphthyridine
CID 57455385
5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1-propan-2-yltetrazole
CID 40855787

Frequently Asked Questions

What is the IUPAC name of 5-nitrotetrazolo[1,5-a]pyridine?
The IUPAC name of 5-nitrotetrazolo[1,5-a]pyridine (CID 19108230) is 5-nitrotetrazolo[1,5-a]pyridine.
What is the SMILES notation for 5-nitrotetrazolo[1,5-a]pyridine?
The canonical SMILES for 5-nitrotetrazolo[1,5-a]pyridine is O=[N+]([O-])c1cccc2nnnn12.
What is the InChIKey of 5-nitrotetrazolo[1,5-a]pyridine?
The InChIKey is QGDWDFYLKGUBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N5O2/c11-10(12)5-3-1-2-4-6-7-8-9(4)5/h1-3H.
What are the key properties of 5-nitrotetrazolo[1,5-a]pyridine?
5-nitrotetrazolo[1,5-a]pyridine has a molecular weight of 165.11 g/mol, XLogP of 0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitrotetrazolo[1,5-a]pyridine is sourced from PubChem (CID 19108230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).