2-(5-cyano-8-oxo-2-phenyl-3-thiophen-2-ylpyrido[3,4-c]pyridazin-6-yl)propanedinitrile

C21H10N6OS — CID 134914501

IUPAC2-(5-cyano-8-oxo-2-phenyl-3-thiophen-2-ylpyrido[3,4-c]pyridazin-6-yl)propanedinitrile
SMILESN#Cc1c2cc(-c3cccs3)n(-c3ccccc3)nc-2c(=O)nc1C(C#N)C#N
InChIInChI=1S/C21H10N6OS/c22-10-13(11-23)19-16(12-24)15-9-17(18-7-4-8-29-18)27(14-5-2-1-3-6-14)26-20(15)21(28)25-19/h1-9,13H
InChIKeyMULBXMZJSHYQOL-UHFFFAOYSA-N
MW394.42 g/mol
LogP3.46
Rot. Bonds3

About 2-(5-cyano-8-oxo-2-phenyl-3-thiophen-2-ylpyrido[3,4-c]pyridazin-6-yl)propanedinitrile

2-(5-cyano-8-oxo-2-phenyl-3-thiophen-2-ylpyrido[3,4-c]pyridazin-6-yl)propanedinitrile (PubChem CID 134914501) has the molecular formula C21H10N6OS and a molecular weight of 394.42 g/mol. Its IUPAC name is 2-(5-cyano-8-oxo-2-phenyl-3-thiophen-2-ylpyrido[3,4-c]pyridazin-6-yl)propanedinitrile.

Molecular Properties

Compound Name2-(5-cyano-8-oxo-2-phenyl-3-thiophen-2-ylpyrido[3,4-c]pyridazin-6-yl)propanedinitrile
PubChem CID134914501
Molecular FormulaC21H10N6OS
Molecular Weight394.42 g/mol
Exact Mass394.06
IUPAC Name2-(5-cyano-8-oxo-2-phenyl-3-thiophen-2-ylpyrido[3,4-c]pyridazin-6-yl)propanedinitrile
SMILESN#Cc1c2cc(-c3cccs3)n(-c3ccccc3)nc-2c(=O)nc1C(C#N)C#N
InChIInChI=1S/C21H10N6OS/c22-10-13(11-23)19-16(12-24)15-9-17(18-7-4-8-29-18)27(14-5-2-1-3-6-14)26-20(15)21(28)25-19/h1-9,13H
InChIKeyMULBXMZJSHYQOL-UHFFFAOYSA-N
XLogP3.46
TPSA119.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(5-cyano-8-oxo-2-phenyl-3-thiophen-2-ylpyrido[3,4-c]pyridazin-6-yl)propanedinitrile with MolForge

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Related Compounds

2,4-diphenyl-5-thiophen-2-ylpyrazole-3-carbonitrile
CID 14000355
3-(4-nitrophenyl)-1-phenyl-5-thiophen-2-ylpyrazole
CID 102358360
3-fluoro-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carbonitrile
CID 146076048
2-phenyl-4-thiophen-2-ylphthalazin-1-one
CID 4053882
2-amino-6-oxo-1-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile
CID 15362191
[(1S)-1-cyanoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 7214590
4,6-diphenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one
CID 12964793
2-oxo-1',6'-diphenyl-3'-thiophen-2-ylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile
CID 171355275
4-(3-methoxyphenyl)-1,3-diphenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 162640371
[4-(1-aminoethyl)piperidin-1-yl]-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)methanone
CID 119519370
1-phenyl-5-thiophen-2-yltriazole
CID 121010770
(3S)-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610532

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-8-oxo-2-phenyl-3-thiophen-2-ylpyrido[3,4-c]pyridazin-6-yl)propanedinitrile?
The IUPAC name of 2-(5-cyano-8-oxo-2-phenyl-3-thiophen-2-ylpyrido[3,4-c]pyridazin-6-yl)propanedinitrile (CID 134914501) is 2-(5-cyano-8-oxo-2-phenyl-3-thiophen-2-ylpyrido[3,4-c]pyridazin-6-yl)propanedinitrile.
What is the SMILES notation for 2-(5-cyano-8-oxo-2-phenyl-3-thiophen-2-ylpyrido[3,4-c]pyridazin-6-yl)propanedinitrile?
The canonical SMILES for 2-(5-cyano-8-oxo-2-phenyl-3-thiophen-2-ylpyrido[3,4-c]pyridazin-6-yl)propanedinitrile is N#Cc1c2cc(-c3cccs3)n(-c3ccccc3)nc-2c(=O)nc1C(C#N)C#N.
What is the InChIKey of 2-(5-cyano-8-oxo-2-phenyl-3-thiophen-2-ylpyrido[3,4-c]pyridazin-6-yl)propanedinitrile?
The InChIKey is MULBXMZJSHYQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10N6OS/c22-10-13(11-23)19-16(12-24)15-9-17(18-7-4-8-29-18)27(14-5-2-1-3-6-14)26-20(15)21(28)25-19/h1-9,13H.
What are the key properties of 2-(5-cyano-8-oxo-2-phenyl-3-thiophen-2-ylpyrido[3,4-c]pyridazin-6-yl)propanedinitrile?
2-(5-cyano-8-oxo-2-phenyl-3-thiophen-2-ylpyrido[3,4-c]pyridazin-6-yl)propanedinitrile has a molecular weight of 394.42 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-8-oxo-2-phenyl-3-thiophen-2-ylpyrido[3,4-c]pyridazin-6-yl)propanedinitrile is sourced from PubChem (CID 134914501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).