3-(4-methoxyphenyl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one

C15H15N3O2 — CID 172852843

IUPAC3-(4-methoxyphenyl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one
SMILESCOc1ccc(-n2ncc3c(C)[nH]c(C)c3c2=O)cc1
InChIInChI=1S/C15H15N3O2/c1-9-13-8-16-18(15(19)14(13)10(2)17-9)11-4-6-12(20-3)7-5-11/h4-8,17H,1-3H3
InChIKeyYHIVXNLCOHXDPD-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.34
Rot. Bonds2

About 3-(4-methoxyphenyl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one

3-(4-methoxyphenyl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one (PubChem CID 172852843) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one
PubChem CID172852843
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-(4-methoxyphenyl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one
SMILESCOc1ccc(-n2ncc3c(C)[nH]c(C)c3c2=O)cc1
InChIInChI=1S/C15H15N3O2/c1-9-13-8-16-18(15(19)14(13)10(2)17-9)11-4-6-12(20-3)7-5-11/h4-8,17H,1-3H3
InChIKeyYHIVXNLCOHXDPD-UHFFFAOYSA-N
XLogP2.34
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxyphenyl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methoxy-2-(4-methoxyphenyl)-6-methylphthalazin-1-one
CID 159088215
5-chloro-4-(4-methoxyphenoxy)-2-(4-methoxyphenyl)pyridazin-3-one
CID 50904469
5-chloro-4-(4-methoxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one
CID 1479652
5-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 122190736
3-(4-methoxyphenyl)-5,7-dimethylpyridazino[4,5-b]indol-4-one
CID 4903253
N-[[4-[6-(4-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]phenyl]methyl]acetamide
CID 170983230
5-ethyl-8-methoxy-3-(4-methoxyphenyl)pyridazino[4,5-b]indol-4-one
CID 4911333
1-(4-methoxyphenyl)-6-[(4-methylphenyl)methylsulfanyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136637709
5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one
CID 67281727
6-(4-methoxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135426480
3-(4-fluorophenyl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one
CID 135472162
ethyl 2-[[1-(4-methoxyphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetate
CID 136637717

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one (CID 172852843) is 3-(4-methoxyphenyl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one is COc1ccc(-n2ncc3c(C)[nH]c(C)c3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one?
The InChIKey is YHIVXNLCOHXDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-13-8-16-18(15(19)14(13)10(2)17-9)11-4-6-12(20-3)7-5-11/h4-8,17H,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one?
3-(4-methoxyphenyl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one has a molecular weight of 269.30 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one is sourced from PubChem (CID 172852843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).