5-(tetrazol-1-yl)pyrazine-2-carbaldehyde

C6H4N6O — CID 123383614

IUPAC5-(tetrazol-1-yl)pyrazine-2-carbaldehyde
SMILESO=Cc1cnc(-n2cnnn2)cn1
InChIInChI=1S/C6H4N6O/c13-3-5-1-8-6(2-7-5)12-4-9-10-11-12/h1-4H
InChIKeySFICOYJMWISGHT-UHFFFAOYSA-N
MW176.14 g/mol
LogP-0.74
Rot. Bonds2

About 5-(tetrazol-1-yl)pyrazine-2-carbaldehyde

5-(tetrazol-1-yl)pyrazine-2-carbaldehyde (PubChem CID 123383614) has the molecular formula C6H4N6O and a molecular weight of 176.14 g/mol. Its IUPAC name is 5-(tetrazol-1-yl)pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name5-(tetrazol-1-yl)pyrazine-2-carbaldehyde
PubChem CID123383614
Molecular FormulaC6H4N6O
Molecular Weight176.14 g/mol
Exact Mass176.04
IUPAC Name5-(tetrazol-1-yl)pyrazine-2-carbaldehyde
SMILESO=Cc1cnc(-n2cnnn2)cn1
InChIInChI=1S/C6H4N6O/c13-3-5-1-8-6(2-7-5)12-4-9-10-11-12/h1-4H
InChIKeySFICOYJMWISGHT-UHFFFAOYSA-N
XLogP-0.74
TPSA86.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Imidazo(1,2-a)pyrazine-3-carbaldehyde
CID 13634591
6-(1,2,4-Triazol-1-yl)pyrazine-2-carboxamide
CID 457575
3-Methyl-5-(tetrazol-1-yl)pyrazine-2-carbaldehyde
CID 118233111
1-[5-(Tetrazol-1-yl)pyrazin-2-yl]ethanone
CID 118233131
Imidazo[1,2-a]pyrazine-2-carbaldehyde
CID 49757969
3-(1,2,4-Triazol-1-yl)pyrazine-2-carboxamide
CID 15563989
1-(Pyrazin-2-yl)-1H-imidazole-4-carbaldehyde
CID 22735183
1,2,4-Triazine-6-carbaldehyde
CID 23130211
Imidazo[1,2-b][1,2,4]triazine-6-carbaldehyde
CID 58764268
3-(4-Methylimidazol-1-yl)-1,2,4-triazine-6-carbaldehyde
CID 59591241
5-(4-Methyl-1h-imidazol-1-yl)-2-pyrazinecarboxaldehyde
CID 59591297
3-Aminoimidazole-4-carbaldehyde
CID 87279998

Frequently Asked Questions

What is the IUPAC name of 5-(tetrazol-1-yl)pyrazine-2-carbaldehyde?
The IUPAC name of 5-(tetrazol-1-yl)pyrazine-2-carbaldehyde (CID 123383614) is 5-(tetrazol-1-yl)pyrazine-2-carbaldehyde.
What is the SMILES notation for 5-(tetrazol-1-yl)pyrazine-2-carbaldehyde?
The canonical SMILES for 5-(tetrazol-1-yl)pyrazine-2-carbaldehyde is O=Cc1cnc(-n2cnnn2)cn1.
What is the InChIKey of 5-(tetrazol-1-yl)pyrazine-2-carbaldehyde?
The InChIKey is SFICOYJMWISGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N6O/c13-3-5-1-8-6(2-7-5)12-4-9-10-11-12/h1-4H.
What are the key properties of 5-(tetrazol-1-yl)pyrazine-2-carbaldehyde?
5-(tetrazol-1-yl)pyrazine-2-carbaldehyde has a molecular weight of 176.14 g/mol, XLogP of -0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tetrazol-1-yl)pyrazine-2-carbaldehyde is sourced from PubChem (CID 123383614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).