2-methyl-6-(3-phenylprop-2-enyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

C17H19N3O — CID 154740584

IUPAC2-methyl-6-(3-phenylprop-2-enyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCn1nc2c(cc1=O)CN(CC=Cc1ccccc1)CC2
InChIInChI=1S/C17H19N3O/c1-19-17(21)12-15-13-20(11-9-16(15)18-19)10-5-8-14-6-3-2-4-7-14/h2-8,12H,9-11,13H2,1H3
InChIKeyUHVAJJDXNHTIBO-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.85
Rot. Bonds3

About 2-methyl-6-(3-phenylprop-2-enyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

2-methyl-6-(3-phenylprop-2-enyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (PubChem CID 154740584) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-methyl-6-(3-phenylprop-2-enyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(3-phenylprop-2-enyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
PubChem CID154740584
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-methyl-6-(3-phenylprop-2-enyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCn1nc2c(cc1=O)CN(CC=Cc1ccccc1)CC2
InChIInChI=1S/C17H19N3O/c1-19-17(21)12-15-13-20(11-9-16(15)18-19)10-5-8-14-6-3-2-4-7-14/h2-8,12H,9-11,13H2,1H3
InChIKeyUHVAJJDXNHTIBO-UHFFFAOYSA-N
XLogP1.85
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinoline
CID 4021995
2-methyl-6-[2-(2-oxopyrrolidin-1-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 71870932
3-methyl-2-phenyl-5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 89098096
2-[1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 122246503
6-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 99832484
1-methyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 110687297
6-[3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 111469782
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
1-hexyl-4-(3-phenylprop-2-enyl)piperazine
CID 71410335
2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 95781787
1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 77097247
7-[(E)-3-phenylprop-2-enyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 42274845

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-phenylprop-2-enyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 2-methyl-6-(3-phenylprop-2-enyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (CID 154740584) is 2-methyl-6-(3-phenylprop-2-enyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-(3-phenylprop-2-enyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-(3-phenylprop-2-enyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is Cn1nc2c(cc1=O)CN(CC=Cc1ccccc1)CC2.
What is the InChIKey of 2-methyl-6-(3-phenylprop-2-enyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The InChIKey is UHVAJJDXNHTIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-19-17(21)12-15-13-20(11-9-16(15)18-19)10-5-8-14-6-3-2-4-7-14/h2-8,12H,9-11,13H2,1H3.
What are the key properties of 2-methyl-6-(3-phenylprop-2-enyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
2-methyl-6-(3-phenylprop-2-enyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one has a molecular weight of 281.36 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-phenylprop-2-enyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 154740584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).