3-phenyl-6,7-dihydropyrazino[2,3-d]pyridazine-5,8-dione

C12H8N4O2 — CID 131845977

IUPAC3-phenyl-6,7-dihydropyrazino[2,3-d]pyridazine-5,8-dione
SMILESO=c1[nH][nH]c(=O)c2nc(-c3ccccc3)cnc12
InChIInChI=1S/C12H8N4O2/c17-11-9-10(12(18)16-15-11)14-8(6-13-9)7-4-2-1-3-5-7/h1-6H,(H,15,17)(H,16,18)
InChIKeyMRMWJJLJTIMYLX-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.67
Rot. Bonds1

About 3-phenyl-6,7-dihydropyrazino[2,3-d]pyridazine-5,8-dione

3-phenyl-6,7-dihydropyrazino[2,3-d]pyridazine-5,8-dione (PubChem CID 131845977) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 3-phenyl-6,7-dihydropyrazino[2,3-d]pyridazine-5,8-dione.

Molecular Properties

Compound Name3-phenyl-6,7-dihydropyrazino[2,3-d]pyridazine-5,8-dione
PubChem CID131845977
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name3-phenyl-6,7-dihydropyrazino[2,3-d]pyridazine-5,8-dione
SMILESO=c1[nH][nH]c(=O)c2nc(-c3ccccc3)cnc12
InChIInChI=1S/C12H8N4O2/c17-11-9-10(12(18)16-15-11)14-8(6-13-9)7-4-2-1-3-5-7/h1-6H,(H,15,17)(H,16,18)
InChIKeyMRMWJJLJTIMYLX-UHFFFAOYSA-N
XLogP0.67
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-6,7-dihydropyrazino[2,3-d]pyridazine-5,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 155765285
1,3-dimethyl-7-(4-phenylphenyl)pteridine-2,4-dione
CID 71399040
4-phenyl-11-tetraphenylen-2-yl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 139484185
6-methoxy-3-phenylquinoxaline-5-carboxylic acid
CID 68675114
6-phenylpteridin-4-amine
CID 10513277
2,3-diphenyl-5-(4-phenylphenyl)pyrazine
CID 58991364
2,6-diphenylpteridin-4-amine
CID 15313166
2-(4-phenylphenyl)benzo[f]quinoxaline
CID 164807898
5-phenyl-3H-imidazo[4,5-b]pyrazine
CID 142671965
4-phenanthro[9,10-b]pyrazin-3-yl-N,N-diphenylaniline
CID 58224554
3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(4-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;2-phenyl-3-[4-[4-(2-phenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 159278418
5-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 588207

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6,7-dihydropyrazino[2,3-d]pyridazine-5,8-dione?
The IUPAC name of 3-phenyl-6,7-dihydropyrazino[2,3-d]pyridazine-5,8-dione (CID 131845977) is 3-phenyl-6,7-dihydropyrazino[2,3-d]pyridazine-5,8-dione.
What is the SMILES notation for 3-phenyl-6,7-dihydropyrazino[2,3-d]pyridazine-5,8-dione?
The canonical SMILES for 3-phenyl-6,7-dihydropyrazino[2,3-d]pyridazine-5,8-dione is O=c1[nH][nH]c(=O)c2nc(-c3ccccc3)cnc12.
What is the InChIKey of 3-phenyl-6,7-dihydropyrazino[2,3-d]pyridazine-5,8-dione?
The InChIKey is MRMWJJLJTIMYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c17-11-9-10(12(18)16-15-11)14-8(6-13-9)7-4-2-1-3-5-7/h1-6H,(H,15,17)(H,16,18).
What are the key properties of 3-phenyl-6,7-dihydropyrazino[2,3-d]pyridazine-5,8-dione?
3-phenyl-6,7-dihydropyrazino[2,3-d]pyridazine-5,8-dione has a molecular weight of 240.22 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6,7-dihydropyrazino[2,3-d]pyridazine-5,8-dione is sourced from PubChem (CID 131845977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).