2-methyl-5-(4-methylpiperazin-1-yl)-3-oxopyridazine-4-carbaldehyde

C11H16N4O2 — CID 58484329

IUPAC2-methyl-5-(4-methylpiperazin-1-yl)-3-oxopyridazine-4-carbaldehyde
SMILESCN1CCN(c2cnn(C)c(=O)c2C=O)CC1
InChIInChI=1S/C11H16N4O2/c1-13-3-5-15(6-4-13)10-7-12-14(2)11(17)9(10)8-16/h7-8H,3-6H2,1-2H3
InChIKeyJVWDHMYEIWDBIY-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.66
Rot. Bonds2

About 2-methyl-5-(4-methylpiperazin-1-yl)-3-oxopyridazine-4-carbaldehyde

2-methyl-5-(4-methylpiperazin-1-yl)-3-oxopyridazine-4-carbaldehyde (PubChem CID 58484329) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-methyl-5-(4-methylpiperazin-1-yl)-3-oxopyridazine-4-carbaldehyde.

Molecular Properties

Compound Name2-methyl-5-(4-methylpiperazin-1-yl)-3-oxopyridazine-4-carbaldehyde
PubChem CID58484329
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-methyl-5-(4-methylpiperazin-1-yl)-3-oxopyridazine-4-carbaldehyde
SMILESCN1CCN(c2cnn(C)c(=O)c2C=O)CC1
InChIInChI=1S/C11H16N4O2/c1-13-3-5-15(6-4-13)10-7-12-14(2)11(17)9(10)8-16/h7-8H,3-6H2,1-2H3
InChIKeyJVWDHMYEIWDBIY-UHFFFAOYSA-N
XLogP-0.66
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-methyl-5-(4-methylpiperazin-1-yl)-3-oxopyridazine-4-carbaldehyde?
The IUPAC name of 2-methyl-5-(4-methylpiperazin-1-yl)-3-oxopyridazine-4-carbaldehyde (CID 58484329) is 2-methyl-5-(4-methylpiperazin-1-yl)-3-oxopyridazine-4-carbaldehyde.
What is the SMILES notation for 2-methyl-5-(4-methylpiperazin-1-yl)-3-oxopyridazine-4-carbaldehyde?
The canonical SMILES for 2-methyl-5-(4-methylpiperazin-1-yl)-3-oxopyridazine-4-carbaldehyde is CN1CCN(c2cnn(C)c(=O)c2C=O)CC1.
What is the InChIKey of 2-methyl-5-(4-methylpiperazin-1-yl)-3-oxopyridazine-4-carbaldehyde?
The InChIKey is JVWDHMYEIWDBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-13-3-5-15(6-4-13)10-7-12-14(2)11(17)9(10)8-16/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-methyl-5-(4-methylpiperazin-1-yl)-3-oxopyridazine-4-carbaldehyde?
2-methyl-5-(4-methylpiperazin-1-yl)-3-oxopyridazine-4-carbaldehyde has a molecular weight of 236.27 g/mol, XLogP of -0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylpiperazin-1-yl)-3-oxopyridazine-4-carbaldehyde is sourced from PubChem (CID 58484329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).