2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetaldehyde

C8H11N3O2 — CID 114396039

IUPAC2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetaldehyde
SMILESCN(C)c1cnn(CC=O)c(=O)c1
InChIInChI=1S/C8H11N3O2/c1-10(2)7-5-8(13)11(3-4-12)9-6-7/h4-6H,3H2,1-2H3
InChIKeyWNAQFCJGFCNHNH-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.49
Rot. Bonds3

About 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetaldehyde

2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetaldehyde (PubChem CID 114396039) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetaldehyde
PubChem CID114396039
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetaldehyde
SMILESCN(C)c1cnn(CC=O)c(=O)c1
InChIInChI=1S/C8H11N3O2/c1-10(2)7-5-8(13)11(3-4-12)9-6-7/h4-6H,3H2,1-2H3
InChIKeyWNAQFCJGFCNHNH-UHFFFAOYSA-N
XLogP-0.49
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.49
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-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetaldehyde?
The IUPAC name of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetaldehyde (CID 114396039) is 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetaldehyde.
What is the SMILES notation for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetaldehyde?
The canonical SMILES for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetaldehyde is CN(C)c1cnn(CC=O)c(=O)c1.
What is the InChIKey of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetaldehyde?
The InChIKey is WNAQFCJGFCNHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-10(2)7-5-8(13)11(3-4-12)9-6-7/h4-6H,3H2,1-2H3.
What are the key properties of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetaldehyde?
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetaldehyde has a molecular weight of 181.19 g/mol, XLogP of -0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetaldehyde is sourced from PubChem (CID 114396039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).