2,4,6-trimethyl-4,5-dihydropyridazin-3-one

C7H12N2O — CID 58694567

IUPAC2,4,6-trimethyl-4,5-dihydropyridazin-3-one
SMILESCC1=NN(C)C(=O)C(C)C1
InChIInChI=1S/C7H12N2O/c1-5-4-6(2)8-9(3)7(5)10/h5H,4H2,1-3H3
InChIKeySNSXOJAWTMMOIL-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.86
Rot. Bonds

About 2,4,6-trimethyl-4,5-dihydropyridazin-3-one

2,4,6-trimethyl-4,5-dihydropyridazin-3-one (PubChem CID 58694567) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2,4,6-trimethyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2,4,6-trimethyl-4,5-dihydropyridazin-3-one
PubChem CID58694567
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2,4,6-trimethyl-4,5-dihydropyridazin-3-one
SMILESCC1=NN(C)C(=O)C(C)C1
InChIInChI=1S/C7H12N2O/c1-5-4-6(2)8-9(3)7(5)10/h5H,4H2,1-3H3
InChIKeySNSXOJAWTMMOIL-UHFFFAOYSA-N
XLogP0.86
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 2,4,6-trimethyl-4,5-dihydropyridazin-3-one (CID 58694567) is 2,4,6-trimethyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2,4,6-trimethyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2,4,6-trimethyl-4,5-dihydropyridazin-3-one is CC1=NN(C)C(=O)C(C)C1.
What is the InChIKey of 2,4,6-trimethyl-4,5-dihydropyridazin-3-one?
The InChIKey is SNSXOJAWTMMOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5-4-6(2)8-9(3)7(5)10/h5H,4H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-4,5-dihydropyridazin-3-one?
2,4,6-trimethyl-4,5-dihydropyridazin-3-one has a molecular weight of 140.19 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 58694567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).