2-(4-methyl-6-oxopyridazin-1-yl)acetaldehyde

C7H8N2O2 — CID 106548775

IUPAC2-(4-methyl-6-oxopyridazin-1-yl)acetaldehyde
SMILESCc1cnn(CC=O)c(=O)c1
InChIInChI=1S/C7H8N2O2/c1-6-4-7(11)9(2-3-10)8-5-6/h3-5H,2H2,1H3
InChIKeyBBPUPGZAASNJHH-UHFFFAOYSA-N
MW152.15 g/mol
LogP-0.25
Rot. Bonds2

About 2-(4-methyl-6-oxopyridazin-1-yl)acetaldehyde

2-(4-methyl-6-oxopyridazin-1-yl)acetaldehyde (PubChem CID 106548775) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-(4-methyl-6-oxopyridazin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-methyl-6-oxopyridazin-1-yl)acetaldehyde
PubChem CID106548775
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name2-(4-methyl-6-oxopyridazin-1-yl)acetaldehyde
SMILESCc1cnn(CC=O)c(=O)c1
InChIInChI=1S/C7H8N2O2/c1-6-4-7(11)9(2-3-10)8-5-6/h3-5H,2H2,1H3
InChIKeyBBPUPGZAASNJHH-UHFFFAOYSA-N
XLogP-0.25
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 ≤ 5-0.25
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
5-Methyl-2-(2-oxopropyl)pyridazin-3-one
CID 57907520
2-(6-Oxopyridazin-1(6H)-YL)acetaldehyde
CID 62849609
2-Ethyl-5-methyl-2,3-dihydropyridazin-3-one
CID 124252037
2-(2-Methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
1-Ethyl-6-oxopyridazine-4-carbaldehyde
CID 84649599
1-Tert-butyl-6-oxopyridazine-4-carbaldehyde
CID 84657350
3-(4-Methyl-6-oxopyridazin-1-yl)propanal
CID 106548801
2-(2-Hydroxyethyl)-5-methylpyridazin-3-one
CID 106548841
2-(4-Methyl-6-oxopyridazin-1-yl)acetamide
CID 106548957
2-(2-Aminooxyethyl)-5-methylpyridazin-3-one
CID 131207528

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxopyridazin-1-yl)acetaldehyde?
The IUPAC name of 2-(4-methyl-6-oxopyridazin-1-yl)acetaldehyde (CID 106548775) is 2-(4-methyl-6-oxopyridazin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(4-methyl-6-oxopyridazin-1-yl)acetaldehyde?
The canonical SMILES for 2-(4-methyl-6-oxopyridazin-1-yl)acetaldehyde is Cc1cnn(CC=O)c(=O)c1.
What is the InChIKey of 2-(4-methyl-6-oxopyridazin-1-yl)acetaldehyde?
The InChIKey is BBPUPGZAASNJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-6-4-7(11)9(2-3-10)8-5-6/h3-5H,2H2,1H3.
What are the key properties of 2-(4-methyl-6-oxopyridazin-1-yl)acetaldehyde?
2-(4-methyl-6-oxopyridazin-1-yl)acetaldehyde has a molecular weight of 152.15 g/mol, XLogP of -0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxopyridazin-1-yl)acetaldehyde is sourced from PubChem (CID 106548775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).