1-methyl-6-oxo-4,5-dihydropyridazine-3-carbaldehyde

C6H8N2O2 — CID 58398355

IUPAC1-methyl-6-oxo-4,5-dihydropyridazine-3-carbaldehyde
SMILESCN1N=C(C=O)CCC1=O
InChIInChI=1S/C6H8N2O2/c1-8-6(10)3-2-5(4-9)7-8/h4H,2-3H2,1H3
InChIKeyHDDJCTBNVGZGOO-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.21
Rot. Bonds1

About 1-methyl-6-oxo-4,5-dihydropyridazine-3-carbaldehyde

1-methyl-6-oxo-4,5-dihydropyridazine-3-carbaldehyde (PubChem CID 58398355) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 1-methyl-6-oxo-4,5-dihydropyridazine-3-carbaldehyde.

Molecular Properties

Compound Name1-methyl-6-oxo-4,5-dihydropyridazine-3-carbaldehyde
PubChem CID58398355
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name1-methyl-6-oxo-4,5-dihydropyridazine-3-carbaldehyde
SMILESCN1N=C(C=O)CCC1=O
InChIInChI=1S/C6H8N2O2/c1-8-6(10)3-2-5(4-9)7-8/h4H,2-3H2,1H3
InChIKeyHDDJCTBNVGZGOO-UHFFFAOYSA-N
XLogP-0.21
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-4,5-dihydropyridazine-3-carbaldehyde?
The IUPAC name of 1-methyl-6-oxo-4,5-dihydropyridazine-3-carbaldehyde (CID 58398355) is 1-methyl-6-oxo-4,5-dihydropyridazine-3-carbaldehyde.
What is the SMILES notation for 1-methyl-6-oxo-4,5-dihydropyridazine-3-carbaldehyde?
The canonical SMILES for 1-methyl-6-oxo-4,5-dihydropyridazine-3-carbaldehyde is CN1N=C(C=O)CCC1=O.
What is the InChIKey of 1-methyl-6-oxo-4,5-dihydropyridazine-3-carbaldehyde?
The InChIKey is HDDJCTBNVGZGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-8-6(10)3-2-5(4-9)7-8/h4H,2-3H2,1H3.
What are the key properties of 1-methyl-6-oxo-4,5-dihydropyridazine-3-carbaldehyde?
1-methyl-6-oxo-4,5-dihydropyridazine-3-carbaldehyde has a molecular weight of 140.14 g/mol, XLogP of -0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-4,5-dihydropyridazine-3-carbaldehyde is sourced from PubChem (CID 58398355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).