1H-pyrazine-4-carbaldehyde

C5H6N2O — CID 18917932

IUPAC1H-pyrazine-4-carbaldehyde
SMILESO=CN1C=CNC=C1
InChIInChI=1S/C5H6N2O/c8-5-7-3-1-6-2-4-7/h1-6H
InChIKeyMMSLNMAOSKVDMK-UHFFFAOYSA-N
MW110.12 g/mol
LogP-0.01
Rot. Bonds1

About 1H-pyrazine-4-carbaldehyde

1H-pyrazine-4-carbaldehyde (PubChem CID 18917932) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is 1H-pyrazine-4-carbaldehyde.

Molecular Properties

Compound Name1H-pyrazine-4-carbaldehyde
PubChem CID18917932
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC Name1H-pyrazine-4-carbaldehyde
SMILESO=CN1C=CNC=C1
InChIInChI=1S/C5H6N2O/c8-5-7-3-1-6-2-4-7/h1-6H
InChIKeyMMSLNMAOSKVDMK-UHFFFAOYSA-N
XLogP-0.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Vinylformamide
CID 83191
ethenamine;N-ethenylformamide
CID 87152102
ethenamine;N-ethenylformamide;hydrochloride
CID 170852785
1H-pyrazine-4-carboxamide
CID 17786430
2,5-dichloro-1H-pyrazine-4-carbaldehyde
CID 18983166
N-[(Z)-2-formamidoethenyl]formamide
CID 59677980
N-(2-formamidoethenyl)formamide
CID 72355806
n-Vinylformamide potassium salt
CID 86609887
ethenamine;N-ethenyl-N-methylformamide
CID 87670470
CID 88460713
CID 88460713
N-ethenylformamide;hydrochloride
CID 88676818
N-[(E)-2-formamidoethenyl]formamide
CID 88740477

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazine-4-carbaldehyde?
The IUPAC name of 1H-pyrazine-4-carbaldehyde (CID 18917932) is 1H-pyrazine-4-carbaldehyde.
What is the SMILES notation for 1H-pyrazine-4-carbaldehyde?
The canonical SMILES for 1H-pyrazine-4-carbaldehyde is O=CN1C=CNC=C1.
What is the InChIKey of 1H-pyrazine-4-carbaldehyde?
The InChIKey is MMSLNMAOSKVDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O/c8-5-7-3-1-6-2-4-7/h1-6H.
What are the key properties of 1H-pyrazine-4-carbaldehyde?
1H-pyrazine-4-carbaldehyde has a molecular weight of 110.12 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazine-4-carbaldehyde is sourced from PubChem (CID 18917932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).