6,7-dimethyl-2-phenyl-3H-pyrido[3,4-d]pyridazine-1,4,5-trione

C15H13N3O3 — CID 100921559

IUPAC6,7-dimethyl-2-phenyl-3H-pyrido[3,4-d]pyridazine-1,4,5-trione
SMILESCc1cc2c(=O)n(-c3ccccc3)[nH]c(=O)c2c(=O)n1C
InChIInChI=1S/C15H13N3O3/c1-9-8-11-12(15(21)17(9)2)13(19)16-18(14(11)20)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,16,19)
InChIKeyKPXMKZWOFNTMBF-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.69
Rot. Bonds1

About 6,7-dimethyl-2-phenyl-3H-pyrido[3,4-d]pyridazine-1,4,5-trione

6,7-dimethyl-2-phenyl-3H-pyrido[3,4-d]pyridazine-1,4,5-trione (PubChem CID 100921559) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 6,7-dimethyl-2-phenyl-3H-pyrido[3,4-d]pyridazine-1,4,5-trione.

Molecular Properties

Compound Name6,7-dimethyl-2-phenyl-3H-pyrido[3,4-d]pyridazine-1,4,5-trione
PubChem CID100921559
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name6,7-dimethyl-2-phenyl-3H-pyrido[3,4-d]pyridazine-1,4,5-trione
SMILESCc1cc2c(=O)n(-c3ccccc3)[nH]c(=O)c2c(=O)n1C
InChIInChI=1S/C15H13N3O3/c1-9-8-11-12(15(21)17(9)2)13(19)16-18(14(11)20)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,16,19)
InChIKeyKPXMKZWOFNTMBF-UHFFFAOYSA-N
XLogP0.69
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethyl-2-phenyl-1H-pyridazine-3,6-dione
CID 59448125
5-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinoline-3,4-dione
CID 10851116
6-methyl-1-phenyl-2H-indazol-3-one
CID 135011697
4,5-dichloro-2-phenyl-1H-pyridazine-3,6-dione
CID 796608
3-(3,5-dimethylphenyl)-2H-phthalazine-1,4-dione
CID 166188406
5-butyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 5296574
6-chloro-2-phenyl-1H-pyridazine-3,4-dione
CID 779542
5-methyl-2-phenyl-1H-pyrazol-3-one
CID 67784781
2,3-dimethylisoquinolin-1-one;ethane
CID 91490725
5-methyl-4-[1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethyl]-2-phenyl-1H-pyrazol-3-one
CID 147475036
4-(dimethylamino)-3-methyl-2-phenyl-1H-pyrazol-5-one
CID 18342069
5,6-dimethyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
CID 3162805

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-phenyl-3H-pyrido[3,4-d]pyridazine-1,4,5-trione?
The IUPAC name of 6,7-dimethyl-2-phenyl-3H-pyrido[3,4-d]pyridazine-1,4,5-trione (CID 100921559) is 6,7-dimethyl-2-phenyl-3H-pyrido[3,4-d]pyridazine-1,4,5-trione.
What is the SMILES notation for 6,7-dimethyl-2-phenyl-3H-pyrido[3,4-d]pyridazine-1,4,5-trione?
The canonical SMILES for 6,7-dimethyl-2-phenyl-3H-pyrido[3,4-d]pyridazine-1,4,5-trione is Cc1cc2c(=O)n(-c3ccccc3)[nH]c(=O)c2c(=O)n1C.
What is the InChIKey of 6,7-dimethyl-2-phenyl-3H-pyrido[3,4-d]pyridazine-1,4,5-trione?
The InChIKey is KPXMKZWOFNTMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-9-8-11-12(15(21)17(9)2)13(19)16-18(14(11)20)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,16,19).
What are the key properties of 6,7-dimethyl-2-phenyl-3H-pyrido[3,4-d]pyridazine-1,4,5-trione?
6,7-dimethyl-2-phenyl-3H-pyrido[3,4-d]pyridazine-1,4,5-trione has a molecular weight of 283.29 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-phenyl-3H-pyrido[3,4-d]pyridazine-1,4,5-trione is sourced from PubChem (CID 100921559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).