7-amino-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyridazin-5-one

C12H10N4O — CID 134093911

IUPAC7-amino-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyridazin-5-one
SMILESNC1=NC(=O)C2=C1NN=C(c1ccccc1)C2
InChIInChI=1S/C12H10N4O/c13-11-10-8(12(17)14-11)6-9(15-16-10)7-4-2-1-3-5-7/h1-5,16H,6H2,(H2,13,14,17)
InChIKeyXCUNESNHPVTHSO-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.54
Rot. Bonds1

About 7-amino-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyridazin-5-one

7-amino-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyridazin-5-one (PubChem CID 134093911) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 7-amino-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyridazin-5-one.

Molecular Properties

Compound Name7-amino-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyridazin-5-one
PubChem CID134093911
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name7-amino-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyridazin-5-one
SMILESNC1=NC(=O)C2=C1NN=C(c1ccccc1)C2
InChIInChI=1S/C12H10N4O/c13-11-10-8(12(17)14-11)6-9(15-16-10)7-4-2-1-3-5-7/h1-5,16H,6H2,(H2,13,14,17)
InChIKeyXCUNESNHPVTHSO-UHFFFAOYSA-N
XLogP0.54
TPSA79.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-methyl-3-phenyl-4,5-dihydro-1H-pyridazin-6-one
CID 11159775
2,4,5-triphenyl-3H-pyrrole
CID 143156770
ethane;7-methyl-5-methylidene-3-phenyl-1,4,6,8-tetrahydrocinnolin-7-ide;tungsten
CID 157055981
(5R)-5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one
CID 745484
5-phenyl-3,4-dihydropyrrol-2-one
CID 122467040
3-(4-chlorophenyl)-1,4-dihydropyrazol-5-one
CID 4778793
3-phenyl-1H-pyridazine-4,6-dione
CID 51423570
3-phenyl-4H-1,2-thiazol-5-one
CID 58432995
5-[(4-nitrophenyl)methylidene]-3-phenyl-1,4-dihydropyridazin-6-one
CID 155289588
2,3-dimethyl-5,7-diphenyl-6H-1,4-diazepine
CID 71375212
3,6-bis(4-fluorophenyl)-1,4-dihydropyridazine-5-carbonitrile
CID 132580853
N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]formamide
CID 168654344

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyridazin-5-one?
The IUPAC name of 7-amino-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyridazin-5-one (CID 134093911) is 7-amino-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyridazin-5-one.
What is the SMILES notation for 7-amino-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyridazin-5-one?
The canonical SMILES for 7-amino-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyridazin-5-one is NC1=NC(=O)C2=C1NN=C(c1ccccc1)C2.
What is the InChIKey of 7-amino-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyridazin-5-one?
The InChIKey is XCUNESNHPVTHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-11-10-8(12(17)14-11)6-9(15-16-10)7-4-2-1-3-5-7/h1-5,16H,6H2,(H2,13,14,17).
What are the key properties of 7-amino-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyridazin-5-one?
7-amino-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyridazin-5-one has a molecular weight of 226.24 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyridazin-5-one is sourced from PubChem (CID 134093911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).