3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbonitrile

C13H11N3O3 — CID 82446214

IUPAC3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbonitrile
SMILESCOc1ccc(-c2cc(C#N)c(=O)[nH]n2)c(OC)c1
InChIInChI=1S/C13H11N3O3/c1-18-9-3-4-10(12(6-9)19-2)11-5-8(7-14)13(17)16-15-11/h3-6H,1-2H3,(H,16,17)
InChIKeyIXZMCEJQSNNAPL-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.33
Rot. Bonds3

About 3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbonitrile

3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbonitrile (PubChem CID 82446214) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbonitrile.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbonitrile
PubChem CID82446214
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbonitrile
SMILESCOc1ccc(-c2cc(C#N)c(=O)[nH]n2)c(OC)c1
InChIInChI=1S/C13H11N3O3/c1-18-9-3-4-10(12(6-9)19-2)11-5-8(7-14)13(17)16-15-11/h3-6H,1-2H3,(H,16,17)
InChIKeyIXZMCEJQSNNAPL-UHFFFAOYSA-N
XLogP1.33
TPSA88.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbohydrazide
CID 82446236
6-(2,4-dimethoxyphenyl)-2-(methylamino)pyridine-3-carbonitrile
CID 62196138
3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920273
6-(3,4-dichlorophenyl)-4-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19657202
8-methoxy-2-oxo-1,5-dihydroindeno[1,2-b]pyridine-3-carbonitrile
CID 79374586
7-(2,4-dimethoxyphenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 126666037
2-[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-6-nitro-1H-benzimidazole
CID 136929767
4-[[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852116
3-(2,4-dimethoxyphenyl)-2H-1,2-oxazol-5-one
CID 75359348
5-(2,4-dimethoxyphenyl)-2H-tetrazole
CID 82077250
3-[4-(difluoromethoxy)-2-methoxyphenyl]-1H-pyridazin-6-one
CID 172780579
5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole
CID 61336548

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbonitrile?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbonitrile (CID 82446214) is 3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbonitrile.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbonitrile?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbonitrile is COc1ccc(-c2cc(C#N)c(=O)[nH]n2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbonitrile?
The InChIKey is IXZMCEJQSNNAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-18-9-3-4-10(12(6-9)19-2)11-5-8(7-14)13(17)16-15-11/h3-6H,1-2H3,(H,16,17).
What are the key properties of 3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbonitrile?
3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbonitrile has a molecular weight of 257.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbonitrile is sourced from PubChem (CID 82446214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).