2-(2,5-dimethoxyphenyl)-4-methyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one

C14H14N4O3 — CID 135415770

IUPAC2-(2,5-dimethoxyphenyl)-4-methyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one
SMILESCOc1ccc(OC)c(-c2nc3c(C)n[nH]c(=O)c3[nH]2)c1
InChIInChI=1S/C14H14N4O3/c1-7-11-12(14(19)18-17-7)16-13(15-11)9-6-8(20-2)4-5-10(9)21-3/h4-6H,1-3H3,(H,15,16)(H,18,19)
InChIKeyQHMCNLHMGAEKGF-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.64
Rot. Bonds3

About 2-(2,5-dimethoxyphenyl)-4-methyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one

2-(2,5-dimethoxyphenyl)-4-methyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one (PubChem CID 135415770) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-4-methyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-4-methyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one
PubChem CID135415770
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name2-(2,5-dimethoxyphenyl)-4-methyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one
SMILESCOc1ccc(OC)c(-c2nc3c(C)n[nH]c(=O)c3[nH]2)c1
InChIInChI=1S/C14H14N4O3/c1-7-11-12(14(19)18-17-7)16-13(15-11)9-6-8(20-2)4-5-10(9)21-3/h4-6H,1-3H3,(H,15,16)(H,18,19)
InChIKeyQHMCNLHMGAEKGF-UHFFFAOYSA-N
XLogP1.64
TPSA92.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-4-methyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-4-methyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one (CID 135415770) is 2-(2,5-dimethoxyphenyl)-4-methyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-4-methyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-4-methyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one is COc1ccc(OC)c(-c2nc3c(C)n[nH]c(=O)c3[nH]2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-4-methyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one?
The InChIKey is QHMCNLHMGAEKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-7-11-12(14(19)18-17-7)16-13(15-11)9-6-8(20-2)4-5-10(9)21-3/h4-6H,1-3H3,(H,15,16)(H,18,19).
What are the key properties of 2-(2,5-dimethoxyphenyl)-4-methyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one?
2-(2,5-dimethoxyphenyl)-4-methyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one has a molecular weight of 286.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-4-methyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 135415770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).