ethane;pyrazine-2-carbaldehyde

C9H16N2O — CID 145021385

IUPACethane;pyrazine-2-carbaldehyde
SMILESCC.CC.O=Cc1cnccn1
InChIInChI=1S/C5H4N2O.2C2H6/c8-4-5-3-6-1-2-7-5;2*1-2/h1-4H;2*1-2H3
InChIKeyPBXXTGAPDQJCMM-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.34
Rot. Bonds1

About ethane;pyrazine-2-carbaldehyde

ethane;pyrazine-2-carbaldehyde (PubChem CID 145021385) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is ethane;pyrazine-2-carbaldehyde.

Molecular Properties

Compound Nameethane;pyrazine-2-carbaldehyde
PubChem CID145021385
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Nameethane;pyrazine-2-carbaldehyde
SMILESCC.CC.O=Cc1cnccn1
InChIInChI=1S/C5H4N2O.2C2H6/c8-4-5-3-6-1-2-7-5;2*1-2/h1-4H;2*1-2H3
InChIKeyPBXXTGAPDQJCMM-UHFFFAOYSA-N
XLogP2.34
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-penta-1,3-dienylpyrazine
CID 141081856
1,5-di(pyrazin-2-yl)penta-1,4-dien-3-one
CID 123693209
N-dimethylsilyloxy-1-pyrazin-2-ylmethanimine
CID 137330093
pyrazine-2,6-dicarbaldehyde
CID 23496663
5-pyrazin-2-yl-1,2-oxazole-3-carbaldehyde
CID 175104512
2-[2-(5-methyl-2-pyridinyl)ethenyl]pyrazine
CID 150230612
[(E)-pyrazin-2-ylmethylideneamino] acetate
CID 87078918
2-hydroxy-3-pyrazin-2-ylprop-2-enamide
CID 149253820
tert-butyl 3-pyrazin-2-ylprop-2-enoate
CID 72519066
(E)-3-pyrazin-2-ylprop-2-en-1-ol
CID 162376500
2-methylpropanal;2-methylpyrazine
CID 145021428
ethyl 3-pyrazin-2-ylprop-2-enoate
CID 123243841

Frequently Asked Questions

What is the IUPAC name of ethane;pyrazine-2-carbaldehyde?
The IUPAC name of ethane;pyrazine-2-carbaldehyde (CID 145021385) is ethane;pyrazine-2-carbaldehyde.
What is the SMILES notation for ethane;pyrazine-2-carbaldehyde?
The canonical SMILES for ethane;pyrazine-2-carbaldehyde is CC.CC.O=Cc1cnccn1.
What is the InChIKey of ethane;pyrazine-2-carbaldehyde?
The InChIKey is PBXXTGAPDQJCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O.2C2H6/c8-4-5-3-6-1-2-7-5;2*1-2/h1-4H;2*1-2H3.
What are the key properties of ethane;pyrazine-2-carbaldehyde?
ethane;pyrazine-2-carbaldehyde has a molecular weight of 168.24 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pyrazine-2-carbaldehyde is sourced from PubChem (CID 145021385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).