6-(3,4-dimethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile

C14H13N3O3 — CID 82444439

IUPAC6-(3,4-dimethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile
SMILESCOc1ccc(-c2cc(C#N)c(=O)n(C)n2)cc1OC
InChIInChI=1S/C14H13N3O3/c1-17-14(18)10(8-15)6-11(16-17)9-4-5-12(19-2)13(7-9)20-3/h4-7H,1-3H3
InChIKeyDWMDDVLYWBIHMS-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.34
Rot. Bonds3

About 6-(3,4-dimethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile

6-(3,4-dimethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile (PubChem CID 82444439) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile
PubChem CID82444439
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name6-(3,4-dimethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile
SMILESCOc1ccc(-c2cc(C#N)c(=O)n(C)n2)cc1OC
InChIInChI=1S/C14H13N3O3/c1-17-14(18)10(8-15)6-11(16-17)9-4-5-12(19-2)13(7-9)20-3/h4-7H,1-3H3
InChIKeyDWMDDVLYWBIHMS-UHFFFAOYSA-N
XLogP1.34
TPSA77.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile
CID 82444298
2-methyl-6-(4-methylphenyl)-3-oxopyridazine-4-carbonitrile
CID 82443798
6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one
CID 7659900
3-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carbaldehyde
CID 84761406
2-(diethylamino)-6-(3,4-dimethoxyphenyl)pyridine-3,4-dicarbonitrile
CID 139203706
4-(chloromethyl)-6-(4-methoxy-3-methylphenyl)-2-methylpyridazin-3-one
CID 82444490
6-(4-methoxy-3-methylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl chloride
CID 82444501
4-(3,4-dimethoxyphenyl)-2-fluorobenzonitrile
CID 59689087
6-(3,4-dimethoxyphenyl)-2-oxo-1-prop-2-ynylpyridine-3-carbonitrile
CID 82099327
2-butyl-6-(3,4-dimethylphenyl)-3-oxopyridazine-4-carbonitrile
CID 82447088
6-(3,4-dimethoxyphenyl)-2-phenylpyridazin-3-one
CID 56850592
4-(3,4-dimethoxyphenyl)benzonitrile
CID 11195791

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile (CID 82444439) is 6-(3,4-dimethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile is COc1ccc(-c2cc(C#N)c(=O)n(C)n2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile?
The InChIKey is DWMDDVLYWBIHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-17-14(18)10(8-15)6-11(16-17)9-4-5-12(19-2)13(7-9)20-3/h4-7H,1-3H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile?
6-(3,4-dimethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile has a molecular weight of 271.28 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile is sourced from PubChem (CID 82444439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).