2-[1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]acetonitrile

C15H15N3O3 — CID 82420730

IUPAC2-[1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]acetonitrile
SMILESCOc1ccc(OC)c(-n2nc(CC#N)c(=O)cc2C)c1
InChIInChI=1S/C15H15N3O3/c1-10-8-14(19)12(6-7-16)17-18(10)13-9-11(20-2)4-5-15(13)21-3/h4-5,8-9H,6H2,1-3H3
InChIKeyMEGGCXBFQFLGLP-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.62
Rot. Bonds4

About 2-[1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]acetonitrile

2-[1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]acetonitrile (PubChem CID 82420730) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]acetonitrile
PubChem CID82420730
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-[1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]acetonitrile
SMILESCOc1ccc(OC)c(-n2nc(CC#N)c(=O)cc2C)c1
InChIInChI=1S/C15H15N3O3/c1-10-8-14(19)12(6-7-16)17-18(10)13-9-11(20-2)4-5-15(13)21-3/h4-5,8-9H,6H2,1-3H3
InChIKeyMEGGCXBFQFLGLP-UHFFFAOYSA-N
XLogP1.62
TPSA77.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-dimethoxyphenyl)-6-methyl-3-(methylaminomethyl)pyridazin-4-one
CID 82420725
1-(2,5-dimethoxyphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82420726
2-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]acetonitrile
CID 82420573
2-[1-(2-methoxy-5-methylphenyl)-5-methylpyrazol-3-yl]acetonitrile
CID 82084697
6-(chloromethyl)-2-(2,5-dimethoxyphenyl)-5-hydroxypyridazin-3-one
CID 82420697
2-[1-(4-butylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetonitrile
CID 82420682
2-(2,5-dimethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
CID 82420696
3-acetyl-1-(2-methoxy-5-methylphenyl)-6-methylpyridazin-4-one
CID 82420636
3-[(2-methoxyethylamino)methyl]-1-(2-methoxyphenyl)-6-methylpyridazin-4-one
CID 82419522
[1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 84760277
2-[4-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetonitrile
CID 3708441
3-(butylaminomethyl)-1-(2-methoxyphenyl)-6-methylpyridazin-4-one
CID 82419519

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]acetonitrile?
The IUPAC name of 2-[1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]acetonitrile (CID 82420730) is 2-[1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]acetonitrile.
What is the SMILES notation for 2-[1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]acetonitrile?
The canonical SMILES for 2-[1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]acetonitrile is COc1ccc(OC)c(-n2nc(CC#N)c(=O)cc2C)c1.
What is the InChIKey of 2-[1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]acetonitrile?
The InChIKey is MEGGCXBFQFLGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-8-14(19)12(6-7-16)17-18(10)13-9-11(20-2)4-5-15(13)21-3/h4-5,8-9H,6H2,1-3H3.
What are the key properties of 2-[1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]acetonitrile?
2-[1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]acetonitrile has a molecular weight of 285.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]acetonitrile is sourced from PubChem (CID 82420730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).