1H-pyrazine-2,3,4,5-tetracarbaldehyde

C8H6N2O4 — CID 22151769

IUPAC1H-pyrazine-2,3,4,5-tetracarbaldehyde
SMILESO=CC1=CNC(C=O)=C(C=O)N1C=O
InChIInChI=1S/C8H6N2O4/c11-2-6-1-9-7(3-12)8(4-13)10(6)5-14/h1-5,9H
InChIKeyCWSQLABDCHGISJ-UHFFFAOYSA-N
MW194.15 g/mol
LogP-1.30
Rot. Bonds4

About 1H-pyrazine-2,3,4,5-tetracarbaldehyde

1H-pyrazine-2,3,4,5-tetracarbaldehyde (PubChem CID 22151769) has the molecular formula C8H6N2O4 and a molecular weight of 194.15 g/mol. Its IUPAC name is 1H-pyrazine-2,3,4,5-tetracarbaldehyde.

Molecular Properties

Compound Name1H-pyrazine-2,3,4,5-tetracarbaldehyde
PubChem CID22151769
Molecular FormulaC8H6N2O4
Molecular Weight194.15 g/mol
Exact Mass194.03
IUPAC Name1H-pyrazine-2,3,4,5-tetracarbaldehyde
SMILESO=CC1=CNC(C=O)=C(C=O)N1C=O
InChIInChI=1S/C8H6N2O4/c11-2-6-1-9-7(3-12)8(4-13)10(6)5-14/h1-5,9H
InChIKeyCWSQLABDCHGISJ-UHFFFAOYSA-N
XLogP-1.30
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazine-2,3,4,5-tetracarbaldehyde?
The IUPAC name of 1H-pyrazine-2,3,4,5-tetracarbaldehyde (CID 22151769) is 1H-pyrazine-2,3,4,5-tetracarbaldehyde.
What is the SMILES notation for 1H-pyrazine-2,3,4,5-tetracarbaldehyde?
The canonical SMILES for 1H-pyrazine-2,3,4,5-tetracarbaldehyde is O=CC1=CNC(C=O)=C(C=O)N1C=O.
What is the InChIKey of 1H-pyrazine-2,3,4,5-tetracarbaldehyde?
The InChIKey is CWSQLABDCHGISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O4/c11-2-6-1-9-7(3-12)8(4-13)10(6)5-14/h1-5,9H.
What are the key properties of 1H-pyrazine-2,3,4,5-tetracarbaldehyde?
1H-pyrazine-2,3,4,5-tetracarbaldehyde has a molecular weight of 194.15 g/mol, XLogP of -1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazine-2,3,4,5-tetracarbaldehyde is sourced from PubChem (CID 22151769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).