2-pyrazin-2-ylpyrazole-3-carbaldehyde

C8H6N4O — CID 56956055

IUPAC2-pyrazin-2-ylpyrazole-3-carbaldehyde
SMILESO=Cc1ccnn1-c1cnccn1
InChIInChI=1S/C8H6N4O/c13-6-7-1-2-11-12(7)8-5-9-3-4-10-8/h1-6H
InChIKeyAURYQHXOYKYXSO-UHFFFAOYSA-N
MW174.16 g/mol
LogP0.47
Rot. Bonds2

About 2-pyrazin-2-ylpyrazole-3-carbaldehyde

2-pyrazin-2-ylpyrazole-3-carbaldehyde (PubChem CID 56956055) has the molecular formula C8H6N4O and a molecular weight of 174.16 g/mol. Its IUPAC name is 2-pyrazin-2-ylpyrazole-3-carbaldehyde.

Molecular Properties

Compound Name2-pyrazin-2-ylpyrazole-3-carbaldehyde
PubChem CID56956055
Molecular FormulaC8H6N4O
Molecular Weight174.16 g/mol
Exact Mass174.05
IUPAC Name2-pyrazin-2-ylpyrazole-3-carbaldehyde
SMILESO=Cc1ccnn1-c1cnccn1
InChIInChI=1S/C8H6N4O/c13-6-7-1-2-11-12(7)8-5-9-3-4-10-8/h1-6H
InChIKeyAURYQHXOYKYXSO-UHFFFAOYSA-N
XLogP0.47
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 50.47
H-Bond Donors ≤ 50
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 2-pyrazin-2-ylpyrazole-3-carbaldehyde?
The IUPAC name of 2-pyrazin-2-ylpyrazole-3-carbaldehyde (CID 56956055) is 2-pyrazin-2-ylpyrazole-3-carbaldehyde.
What is the SMILES notation for 2-pyrazin-2-ylpyrazole-3-carbaldehyde?
The canonical SMILES for 2-pyrazin-2-ylpyrazole-3-carbaldehyde is O=Cc1ccnn1-c1cnccn1.
What is the InChIKey of 2-pyrazin-2-ylpyrazole-3-carbaldehyde?
The InChIKey is AURYQHXOYKYXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O/c13-6-7-1-2-11-12(7)8-5-9-3-4-10-8/h1-6H.
What are the key properties of 2-pyrazin-2-ylpyrazole-3-carbaldehyde?
2-pyrazin-2-ylpyrazole-3-carbaldehyde has a molecular weight of 174.16 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-ylpyrazole-3-carbaldehyde is sourced from PubChem (CID 56956055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).