3-isoquinolin-4-yl-4,5-dimethyl-1H-pyridazin-6-one

C15H13N3O — CID 106518049

IUPAC3-isoquinolin-4-yl-4,5-dimethyl-1H-pyridazin-6-one
SMILESCc1c(-c2cncc3ccccc23)n[nH]c(=O)c1C
InChIInChI=1S/C15H13N3O/c1-9-10(2)15(19)18-17-14(9)13-8-16-7-11-5-3-4-6-12(11)13/h3-8H,1-2H3,(H,18,19)
InChIKeyUOZMKXLWMJPIIG-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.60
Rot. Bonds1

About 3-isoquinolin-4-yl-4,5-dimethyl-1H-pyridazin-6-one

3-isoquinolin-4-yl-4,5-dimethyl-1H-pyridazin-6-one (PubChem CID 106518049) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-isoquinolin-4-yl-4,5-dimethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-isoquinolin-4-yl-4,5-dimethyl-1H-pyridazin-6-one
PubChem CID106518049
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name3-isoquinolin-4-yl-4,5-dimethyl-1H-pyridazin-6-one
SMILESCc1c(-c2cncc3ccccc23)n[nH]c(=O)c1C
InChIInChI=1S/C15H13N3O/c1-9-10(2)15(19)18-17-14(9)13-8-16-7-11-5-3-4-6-12(11)13/h3-8H,1-2H3,(H,18,19)
InChIKeyUOZMKXLWMJPIIG-UHFFFAOYSA-N
XLogP2.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-isoquinolin-4-yl-2H-phthalazin-1-one
CID 106518041
5-isoquinolin-4-yl-2,3-dimethylimidazol-4-amine
CID 104504804
4-isoquinolin-4-yl-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136692880
3-(2,4-dimethylphenyl)-4,5-dimethyl-1H-pyridazin-6-one
CID 106516910
4-isoquinolin-4-yl-2-methylimidazole-1,5-diamine
CID 104504831
3-(2,3-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one
CID 106521195
7-isoquinolin-4-yl-1H-quinolin-2-one
CID 167814827
3-(3-bromo-2-fluorophenyl)-4,5-dimethyl-1H-pyridazin-6-one
CID 106650668
4-(3-methylfuran-2-yl)isoquinoline
CID 139238940
3-(5-fluoro-3-pyridinyl)-4,5-dimethyl-1H-pyridazin-6-one
CID 106515803
5-methyl-3,4-diphenyl-1H-pyridazin-6-one
CID 13078220
2-isoquinolin-4-yl-8-methylimidazo[1,2-a]pyridin-3-amine
CID 104505099

Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-4-yl-4,5-dimethyl-1H-pyridazin-6-one?
The IUPAC name of 3-isoquinolin-4-yl-4,5-dimethyl-1H-pyridazin-6-one (CID 106518049) is 3-isoquinolin-4-yl-4,5-dimethyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-isoquinolin-4-yl-4,5-dimethyl-1H-pyridazin-6-one?
The canonical SMILES for 3-isoquinolin-4-yl-4,5-dimethyl-1H-pyridazin-6-one is Cc1c(-c2cncc3ccccc23)n[nH]c(=O)c1C.
What is the InChIKey of 3-isoquinolin-4-yl-4,5-dimethyl-1H-pyridazin-6-one?
The InChIKey is UOZMKXLWMJPIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-9-10(2)15(19)18-17-14(9)13-8-16-7-11-5-3-4-6-12(11)13/h3-8H,1-2H3,(H,18,19).
What are the key properties of 3-isoquinolin-4-yl-4,5-dimethyl-1H-pyridazin-6-one?
3-isoquinolin-4-yl-4,5-dimethyl-1H-pyridazin-6-one has a molecular weight of 251.29 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-4-yl-4,5-dimethyl-1H-pyridazin-6-one is sourced from PubChem (CID 106518049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).