1-ethyl-6-oxopyridazine-4-carbaldehyde

C7H8N2O2 — CID 84649599

IUPAC1-ethyl-6-oxopyridazine-4-carbaldehyde
SMILESCCn1ncc(C=O)cc1=O
InChIInChI=1S/C7H8N2O2/c1-2-9-7(11)3-6(5-10)4-8-9/h3-5H,2H2,1H3
InChIKeyPQVAGSNOJFFENQ-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.08
Rot. Bonds2

About 1-ethyl-6-oxopyridazine-4-carbaldehyde

1-ethyl-6-oxopyridazine-4-carbaldehyde (PubChem CID 84649599) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 1-ethyl-6-oxopyridazine-4-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-6-oxopyridazine-4-carbaldehyde
PubChem CID84649599
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name1-ethyl-6-oxopyridazine-4-carbaldehyde
SMILESCCn1ncc(C=O)cc1=O
InChIInChI=1S/C7H8N2O2/c1-2-9-7(11)3-6(5-10)4-8-9/h3-5H,2H2,1H3
InChIKeyPQVAGSNOJFFENQ-UHFFFAOYSA-N
XLogP0.08
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-6-oxo-1,6-dihydropyridazine-4-carbaldehyde
CID 24750286
2-Ethyl-4-methylpyridazin-3-one
CID 89243779
2-Ethyl-5-methyl-2,3-dihydropyridazin-3-one
CID 124252037
2-(2-Methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
4-Methyl-2-propylpyridazin-3-one
CID 174155037
3-(6-Oxopyridazin-1-yl)propanal
CID 63039081
1-Tert-butyl-6-oxopyridazine-4-carbaldehyde
CID 84657350
2-(4-Methyl-6-oxopyridazin-1-yl)acetaldehyde
CID 106548775
3-(4-Methyl-6-oxopyridazin-1-yl)propanal
CID 106548801
2-(2-Hydroxyethyl)-5-methylpyridazin-3-one
CID 106548841
2-(2-Aminooxyethyl)-5-methylpyridazin-3-one
CID 131207528

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-oxopyridazine-4-carbaldehyde?
The IUPAC name of 1-ethyl-6-oxopyridazine-4-carbaldehyde (CID 84649599) is 1-ethyl-6-oxopyridazine-4-carbaldehyde.
What is the SMILES notation for 1-ethyl-6-oxopyridazine-4-carbaldehyde?
The canonical SMILES for 1-ethyl-6-oxopyridazine-4-carbaldehyde is CCn1ncc(C=O)cc1=O.
What is the InChIKey of 1-ethyl-6-oxopyridazine-4-carbaldehyde?
The InChIKey is PQVAGSNOJFFENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-2-9-7(11)3-6(5-10)4-8-9/h3-5H,2H2,1H3.
What are the key properties of 1-ethyl-6-oxopyridazine-4-carbaldehyde?
1-ethyl-6-oxopyridazine-4-carbaldehyde has a molecular weight of 152.15 g/mol, XLogP of 0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-oxopyridazine-4-carbaldehyde is sourced from PubChem (CID 84649599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).