2-(4-methoxyphenyl)-3,6-dioxo-5,7-dihydropyrrolo[2,3-c]pyridazine-4-carbonitrile

C14H10N4O3 — CID 4244151

IUPAC2-(4-methoxyphenyl)-3,6-dioxo-5,7-dihydropyrrolo[2,3-c]pyridazine-4-carbonitrile
SMILESCOc1ccc(-n2nc3c(c(C#N)c2=O)CC(=O)N3)cc1
InChIInChI=1S/C14H10N4O3/c1-21-9-4-2-8(3-5-9)18-14(20)11(7-15)10-6-12(19)16-13(10)17-18/h2-5H,6H2,1H3,(H,16,17,19)
InChIKeyCYVQITUMGXEMDW-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.61
Rot. Bonds2

About 2-(4-methoxyphenyl)-3,6-dioxo-5,7-dihydropyrrolo[2,3-c]pyridazine-4-carbonitrile

2-(4-methoxyphenyl)-3,6-dioxo-5,7-dihydropyrrolo[2,3-c]pyridazine-4-carbonitrile (PubChem CID 4244151) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3,6-dioxo-5,7-dihydropyrrolo[2,3-c]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3,6-dioxo-5,7-dihydropyrrolo[2,3-c]pyridazine-4-carbonitrile
PubChem CID4244151
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name2-(4-methoxyphenyl)-3,6-dioxo-5,7-dihydropyrrolo[2,3-c]pyridazine-4-carbonitrile
SMILESCOc1ccc(-n2nc3c(c(C#N)c2=O)CC(=O)N3)cc1
InChIInChI=1S/C14H10N4O3/c1-21-9-4-2-8(3-5-9)18-14(20)11(7-15)10-6-12(19)16-13(10)17-18/h2-5H,6H2,1H3,(H,16,17,19)
InChIKeyCYVQITUMGXEMDW-UHFFFAOYSA-N
XLogP0.61
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-methoxyphenyl)-3,6-dioxo-5,7-dihydropyrrolo[2,3-c]pyridazine-4-carbonitrile with MolForge

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Related Compounds

methyl 5-cyano-4-ethyl-1-(4-methoxyphenyl)-6-oxopyridazine-3-carboxylate
CID 2814242
5-cyano-4-[(Z)-2-(4-fluorophenyl)ethenyl]-1-(4-methoxyphenyl)-6-oxopyridazine-3-carboxylic acid
CID 126213193
5-chloro-1-(4-methoxyphenyl)-3-methylpyrazole-4-carbonitrile
CID 63787921
5-cyano-1-(4-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-6-oxopyridazine-3-carboxamide
CID 126073396
5-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
CID 22310084
5-cyano-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxamide
CID 126058810
5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
CID 2763873
5-cyano-1-(4-methoxyphenyl)-4-[(Z)-2-(4-nitrophenyl)ethenyl]-6-oxopyridazine-3-carboxylic acid
CID 126208307
5-cyano-1-(4-methoxyphenyl)-4-methyl-6-oxo-N-(pyridin-4-ylmethylideneamino)pyridazine-3-carboxamide
CID 1280129
3-ethyl-2-(4-methoxyphenyl)-5-oxo-1,2,4-triazine-6-carbonitrile
CID 4873722
1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carbonitrile
CID 71150273
1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile
CID 1479393

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3,6-dioxo-5,7-dihydropyrrolo[2,3-c]pyridazine-4-carbonitrile?
The IUPAC name of 2-(4-methoxyphenyl)-3,6-dioxo-5,7-dihydropyrrolo[2,3-c]pyridazine-4-carbonitrile (CID 4244151) is 2-(4-methoxyphenyl)-3,6-dioxo-5,7-dihydropyrrolo[2,3-c]pyridazine-4-carbonitrile.
What is the SMILES notation for 2-(4-methoxyphenyl)-3,6-dioxo-5,7-dihydropyrrolo[2,3-c]pyridazine-4-carbonitrile?
The canonical SMILES for 2-(4-methoxyphenyl)-3,6-dioxo-5,7-dihydropyrrolo[2,3-c]pyridazine-4-carbonitrile is COc1ccc(-n2nc3c(c(C#N)c2=O)CC(=O)N3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3,6-dioxo-5,7-dihydropyrrolo[2,3-c]pyridazine-4-carbonitrile?
The InChIKey is CYVQITUMGXEMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c1-21-9-4-2-8(3-5-9)18-14(20)11(7-15)10-6-12(19)16-13(10)17-18/h2-5H,6H2,1H3,(H,16,17,19).
What are the key properties of 2-(4-methoxyphenyl)-3,6-dioxo-5,7-dihydropyrrolo[2,3-c]pyridazine-4-carbonitrile?
2-(4-methoxyphenyl)-3,6-dioxo-5,7-dihydropyrrolo[2,3-c]pyridazine-4-carbonitrile has a molecular weight of 282.26 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3,6-dioxo-5,7-dihydropyrrolo[2,3-c]pyridazine-4-carbonitrile is sourced from PubChem (CID 4244151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).