1-methyl-2-(3-methylphenyl)pyridazine-3,6-dione

C12H12N2O2 — CID 13027273

IUPAC1-methyl-2-(3-methylphenyl)pyridazine-3,6-dione
SMILESCc1cccc(-n2c(=O)ccc(=O)n2C)c1
InChIInChI=1S/C12H12N2O2/c1-9-4-3-5-10(8-9)14-12(16)7-6-11(15)13(14)2/h3-8H,1-2H3
InChIKeyPPPWJFHXGAEZSF-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.84
Rot. Bonds1

About 1-methyl-2-(3-methylphenyl)pyridazine-3,6-dione

1-methyl-2-(3-methylphenyl)pyridazine-3,6-dione (PubChem CID 13027273) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-methyl-2-(3-methylphenyl)pyridazine-3,6-dione.

Molecular Properties

Compound Name1-methyl-2-(3-methylphenyl)pyridazine-3,6-dione
PubChem CID13027273
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-methyl-2-(3-methylphenyl)pyridazine-3,6-dione
SMILESCc1cccc(-n2c(=O)ccc(=O)n2C)c1
InChIInChI=1S/C12H12N2O2/c1-9-4-3-5-10(8-9)14-12(16)7-6-11(15)13(14)2/h3-8H,1-2H3
InChIKeyPPPWJFHXGAEZSF-UHFFFAOYSA-N
XLogP0.84
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-1-phenylpyrazol-3-one
CID 555724
1-(3-methylphenyl)-5-(trifluoromethyl)pyridin-2-one
CID 25093743
4-amino-5-ethyl-2-(3-methylphenyl)-1-propylpyrazol-3-one
CID 61271001
5-iodo-2-(3-methylphenyl)pyridazin-3-one
CID 24997710
N-methyl-1-(3-methylphenyl)pyrazol-3-amine
CID 83876804
3-methyl-1-(3-methylphenyl)piperidin-2-one
CID 21249686
4-methyl-2-(3-methylphenyl)-1,2,4-oxadiazinane-3,5-dione
CID 154184841
3-(3-methylphenyl)-2,3,4-triazabicyclo[3.2.2]nona-1(7),5,8-triene
CID 70165942
4-methoxy-2,6-bis(3-methylphenyl)-1,2,4,6-thiatriazinane-3,5-dione
CID 21454850
1-(3-methylphenyl)-5-sulfanylidenepyrrolidin-2-one
CID 141465001
7-(3-methylphenyl)-2-oxa-7-azabicyclo[3.2.0]heptan-6-one
CID 15761342
4-amino-5-tert-butyl-1-ethyl-2-(3-methylphenyl)pyrazol-3-one
CID 61270792

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-methylphenyl)pyridazine-3,6-dione?
The IUPAC name of 1-methyl-2-(3-methylphenyl)pyridazine-3,6-dione (CID 13027273) is 1-methyl-2-(3-methylphenyl)pyridazine-3,6-dione.
What is the SMILES notation for 1-methyl-2-(3-methylphenyl)pyridazine-3,6-dione?
The canonical SMILES for 1-methyl-2-(3-methylphenyl)pyridazine-3,6-dione is Cc1cccc(-n2c(=O)ccc(=O)n2C)c1.
What is the InChIKey of 1-methyl-2-(3-methylphenyl)pyridazine-3,6-dione?
The InChIKey is PPPWJFHXGAEZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-9-4-3-5-10(8-9)14-12(16)7-6-11(15)13(14)2/h3-8H,1-2H3.
What are the key properties of 1-methyl-2-(3-methylphenyl)pyridazine-3,6-dione?
1-methyl-2-(3-methylphenyl)pyridazine-3,6-dione has a molecular weight of 216.24 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-methylphenyl)pyridazine-3,6-dione is sourced from PubChem (CID 13027273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).