2-benzyl-6-(furan-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

C19H17N3O3 — CID 91894536

IUPAC2-benzyl-6-(furan-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESO=C(c1ccoc1)N1CCc2nn(Cc3ccccc3)c(=O)cc2C1
InChIInChI=1S/C19H17N3O3/c23-18-10-16-12-21(19(24)15-7-9-25-13-15)8-6-17(16)20-22(18)11-14-4-2-1-3-5-14/h1-5,7,9-10,13H,6,8,11-12H2
InChIKeyAZEREAJZZCWYJM-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.08
Rot. Bonds3

About 2-benzyl-6-(furan-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

2-benzyl-6-(furan-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (PubChem CID 91894536) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-benzyl-6-(furan-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-(furan-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
PubChem CID91894536
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name2-benzyl-6-(furan-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESO=C(c1ccoc1)N1CCc2nn(Cc3ccccc3)c(=O)cc2C1
InChIInChI=1S/C19H17N3O3/c23-18-10-16-12-21(19(24)15-7-9-25-13-15)8-6-17(16)20-22(18)11-14-4-2-1-3-5-14/h1-5,7,9-10,13H,6,8,11-12H2
InChIKeyAZEREAJZZCWYJM-UHFFFAOYSA-N
XLogP2.08
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-benzyl-6-(furan-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one with MolForge

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Related Compounds

6-[4-(dimethylamino)benzoyl]-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 91894565
2-benzyl-6-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-one
CID 121067048
2-benzyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 63253672
ethyl 3-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
CID 75510653
N-(3-chlorophenyl)-3-oxo-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide
CID 91894617
6-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 91894557
[4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone
CID 53192503
2-[4-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl)phenoxy]acetic acid
CID 146135786
6-[4-(dimethylamino)benzoyl]-2-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 91894524
6-(3-methoxybenzoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 136529400
furan-3-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 53185455
[(3R)-3-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone
CID 95111313

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(furan-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 2-benzyl-6-(furan-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (CID 91894536) is 2-benzyl-6-(furan-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-(furan-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-benzyl-6-(furan-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is O=C(c1ccoc1)N1CCc2nn(Cc3ccccc3)c(=O)cc2C1.
What is the InChIKey of 2-benzyl-6-(furan-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The InChIKey is AZEREAJZZCWYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-18-10-16-12-21(19(24)15-7-9-25-13-15)8-6-17(16)20-22(18)11-14-4-2-1-3-5-14/h1-5,7,9-10,13H,6,8,11-12H2.
What are the key properties of 2-benzyl-6-(furan-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
2-benzyl-6-(furan-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one has a molecular weight of 335.36 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(furan-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 91894536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).