4-methylpyridazine-3,6-dione

C5H4N2O2 — CID 45049309

IUPAC4-methylpyridazine-3,6-dione
SMILESCC1=CC(=O)N=NC1=O
InChIInChI=1S/C5H4N2O2/c1-3-2-4(8)6-7-5(3)9/h2H,1H3
InChIKeyKCFIRVDEKAERQV-UHFFFAOYSA-N
MW124.10 g/mol
LogP0.45
Rot. Bonds

About 4-methylpyridazine-3,6-dione

4-methylpyridazine-3,6-dione (PubChem CID 45049309) has the molecular formula C5H4N2O2 and a molecular weight of 124.10 g/mol. Its IUPAC name is 4-methylpyridazine-3,6-dione.

Molecular Properties

Compound Name4-methylpyridazine-3,6-dione
PubChem CID45049309
Molecular FormulaC5H4N2O2
Molecular Weight124.10 g/mol
Exact Mass124.03
IUPAC Name4-methylpyridazine-3,6-dione
SMILESCC1=CC(=O)N=NC1=O
InChIInChI=1S/C5H4N2O2/c1-3-2-4(8)6-7-5(3)9/h2H,1H3
InChIKeyKCFIRVDEKAERQV-UHFFFAOYSA-N
XLogP0.45
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.10
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylpyridazine-3,6-dione?
The IUPAC name of 4-methylpyridazine-3,6-dione (CID 45049309) is 4-methylpyridazine-3,6-dione.
What is the SMILES notation for 4-methylpyridazine-3,6-dione?
The canonical SMILES for 4-methylpyridazine-3,6-dione is CC1=CC(=O)N=NC1=O.
What is the InChIKey of 4-methylpyridazine-3,6-dione?
The InChIKey is KCFIRVDEKAERQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O2/c1-3-2-4(8)6-7-5(3)9/h2H,1H3.
What are the key properties of 4-methylpyridazine-3,6-dione?
4-methylpyridazine-3,6-dione has a molecular weight of 124.10 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyridazine-3,6-dione is sourced from PubChem (CID 45049309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).