5-(dimethylamino)-2-methyl-3-oxopyridazine-4-carbaldehyde

C8H11N3O2 — CID 14969900

IUPAC5-(dimethylamino)-2-methyl-3-oxopyridazine-4-carbaldehyde
SMILESCN(C)c1cnn(C)c(=O)c1C=O
InChIInChI=1S/C8H11N3O2/c1-10(2)7-4-9-11(3)8(13)6(7)5-12/h4-5H,1-3H3
InChIKeyDMXLRPPIJQCWBZ-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.34
Rot. Bonds2

About 5-(dimethylamino)-2-methyl-3-oxopyridazine-4-carbaldehyde

5-(dimethylamino)-2-methyl-3-oxopyridazine-4-carbaldehyde (PubChem CID 14969900) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-(dimethylamino)-2-methyl-3-oxopyridazine-4-carbaldehyde.

Molecular Properties

Compound Name5-(dimethylamino)-2-methyl-3-oxopyridazine-4-carbaldehyde
PubChem CID14969900
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name5-(dimethylamino)-2-methyl-3-oxopyridazine-4-carbaldehyde
SMILESCN(C)c1cnn(C)c(=O)c1C=O
InChIInChI=1S/C8H11N3O2/c1-10(2)7-4-9-11(3)8(13)6(7)5-12/h4-5H,1-3H3
InChIKeyDMXLRPPIJQCWBZ-UHFFFAOYSA-N
XLogP-0.34
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.34
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 5-(dimethylamino)-2-methyl-3-oxopyridazine-4-carbaldehyde?
The IUPAC name of 5-(dimethylamino)-2-methyl-3-oxopyridazine-4-carbaldehyde (CID 14969900) is 5-(dimethylamino)-2-methyl-3-oxopyridazine-4-carbaldehyde.
What is the SMILES notation for 5-(dimethylamino)-2-methyl-3-oxopyridazine-4-carbaldehyde?
The canonical SMILES for 5-(dimethylamino)-2-methyl-3-oxopyridazine-4-carbaldehyde is CN(C)c1cnn(C)c(=O)c1C=O.
What is the InChIKey of 5-(dimethylamino)-2-methyl-3-oxopyridazine-4-carbaldehyde?
The InChIKey is DMXLRPPIJQCWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-10(2)7-4-9-11(3)8(13)6(7)5-12/h4-5H,1-3H3.
What are the key properties of 5-(dimethylamino)-2-methyl-3-oxopyridazine-4-carbaldehyde?
5-(dimethylamino)-2-methyl-3-oxopyridazine-4-carbaldehyde has a molecular weight of 181.19 g/mol, XLogP of -0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-methyl-3-oxopyridazine-4-carbaldehyde is sourced from PubChem (CID 14969900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).