3-(4-methyl-6-oxopyridazin-1-yl)propanal

C8H10N2O2 — CID 106548801

IUPAC3-(4-methyl-6-oxopyridazin-1-yl)propanal
SMILESCc1cnn(CCC=O)c(=O)c1
InChIInChI=1S/C8H10N2O2/c1-7-5-8(12)10(9-6-7)3-2-4-11/h4-6H,2-3H2,1H3
InChIKeyKAOCREYEKMAEHF-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.14
Rot. Bonds3

About 3-(4-methyl-6-oxopyridazin-1-yl)propanal

3-(4-methyl-6-oxopyridazin-1-yl)propanal (PubChem CID 106548801) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-(4-methyl-6-oxopyridazin-1-yl)propanal.

Molecular Properties

Compound Name3-(4-methyl-6-oxopyridazin-1-yl)propanal
PubChem CID106548801
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3-(4-methyl-6-oxopyridazin-1-yl)propanal
SMILESCc1cnn(CCC=O)c(=O)c1
InChIInChI=1S/C8H10N2O2/c1-7-5-8(12)10(9-6-7)3-2-4-11/h4-6H,2-3H2,1H3
InChIKeyKAOCREYEKMAEHF-UHFFFAOYSA-N
XLogP0.14
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.14
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

2-(3-Fluoropropyl)-5-methylpyridazin-3-one
CID 126996145
1-Methyl-6-oxo-1,6-dihydropyridazine-4-carbaldehyde
CID 24750286
5-Methyl-2-prop-2-enylpyridazin-3-one
CID 130677854
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-Ethyl-6-oxopyridazine-4-carbaldehyde
CID 84649599
1-Tert-butyl-6-oxopyridazine-4-carbaldehyde
CID 84657350
2-Methyl-5-[methyl(prop-2-enyl)amino]-3-oxopyridazine-4-carbaldehyde
CID 101074294
Methyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate
CID 106548417
Ethyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate
CID 106548438
Methyl 2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoate
CID 106548448

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-6-oxopyridazin-1-yl)propanal?
The IUPAC name of 3-(4-methyl-6-oxopyridazin-1-yl)propanal (CID 106548801) is 3-(4-methyl-6-oxopyridazin-1-yl)propanal.
What is the SMILES notation for 3-(4-methyl-6-oxopyridazin-1-yl)propanal?
The canonical SMILES for 3-(4-methyl-6-oxopyridazin-1-yl)propanal is Cc1cnn(CCC=O)c(=O)c1.
What is the InChIKey of 3-(4-methyl-6-oxopyridazin-1-yl)propanal?
The InChIKey is KAOCREYEKMAEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-7-5-8(12)10(9-6-7)3-2-4-11/h4-6H,2-3H2,1H3.
What are the key properties of 3-(4-methyl-6-oxopyridazin-1-yl)propanal?
3-(4-methyl-6-oxopyridazin-1-yl)propanal has a molecular weight of 166.18 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-6-oxopyridazin-1-yl)propanal is sourced from PubChem (CID 106548801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).