6-(3,4-dimethoxyphenyl)pyrido[4,3-c]pyridazin-5-one

C15H13N3O3 — CID 15707718

IUPAC6-(3,4-dimethoxyphenyl)pyrido[4,3-c]pyridazin-5-one
SMILESCOc1ccc(-n2ccc3nnccc3c2=O)cc1OC
InChIInChI=1S/C15H13N3O3/c1-20-13-4-3-10(9-14(13)21-2)18-8-6-12-11(15(18)19)5-7-16-17-12/h3-9H,1-2H3
InChIKeyIGHBJTDYWZDCAH-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.80
Rot. Bonds3

About 6-(3,4-dimethoxyphenyl)pyrido[4,3-c]pyridazin-5-one

6-(3,4-dimethoxyphenyl)pyrido[4,3-c]pyridazin-5-one (PubChem CID 15707718) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)pyrido[4,3-c]pyridazin-5-one.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)pyrido[4,3-c]pyridazin-5-one
PubChem CID15707718
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name6-(3,4-dimethoxyphenyl)pyrido[4,3-c]pyridazin-5-one
SMILESCOc1ccc(-n2ccc3nnccc3c2=O)cc1OC
InChIInChI=1S/C15H13N3O3/c1-20-13-4-3-10(9-14(13)21-2)18-8-6-12-11(15(18)19)5-7-16-17-12/h3-9H,1-2H3
InChIKeyIGHBJTDYWZDCAH-UHFFFAOYSA-N
XLogP1.80
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-pyrazolecarboxamide
CID 5301257
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 4464934
N-(3,4-dimethoxyphenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850904
6-(3-chloro-4-methoxyphenyl)pyrido[4,3-c]pyridazin-5(6H)-one
CID 15707719
N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280878
N-[4-(difluoromethoxy)-3-methoxyphenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19474112
N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474410
N-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474970
N-(3,4-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 48208066
N-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 56819999
[4-(4-Fluoro-3-methoxyphenyl)piperazin-1-yl]-pyridazin-4-ylmethanone
CID 146075612
Methyl 1-(3,4-dimethoxyphenyl)-5-(fluoromethyl)pyrazole-4-carboxylate
CID 172412339

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)pyrido[4,3-c]pyridazin-5-one?
The IUPAC name of 6-(3,4-dimethoxyphenyl)pyrido[4,3-c]pyridazin-5-one (CID 15707718) is 6-(3,4-dimethoxyphenyl)pyrido[4,3-c]pyridazin-5-one.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)pyrido[4,3-c]pyridazin-5-one?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)pyrido[4,3-c]pyridazin-5-one is COc1ccc(-n2ccc3nnccc3c2=O)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)pyrido[4,3-c]pyridazin-5-one?
The InChIKey is IGHBJTDYWZDCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-20-13-4-3-10(9-14(13)21-2)18-8-6-12-11(15(18)19)5-7-16-17-12/h3-9H,1-2H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)pyrido[4,3-c]pyridazin-5-one?
6-(3,4-dimethoxyphenyl)pyrido[4,3-c]pyridazin-5-one has a molecular weight of 283.29 g/mol, XLogP of 1.80, 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)pyrido[4,3-c]pyridazin-5-one is sourced from PubChem (CID 15707718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).