1-phenyl-3-propylthieno[3,4-d]pyridazin-4-one

C15H14N2OS — CID 134113756

IUPAC1-phenyl-3-propylthieno[3,4-d]pyridazin-4-one
SMILESCCCn1nc(-c2ccccc2)c2cscc2c1=O
InChIInChI=1S/C15H14N2OS/c1-2-8-17-15(18)13-10-19-9-12(13)14(16-17)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3
InChIKeyAKZCFTFGIMOPBB-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.54
Rot. Bonds3

About 1-phenyl-3-propylthieno[3,4-d]pyridazin-4-one

1-phenyl-3-propylthieno[3,4-d]pyridazin-4-one (PubChem CID 134113756) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-phenyl-3-propylthieno[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name1-phenyl-3-propylthieno[3,4-d]pyridazin-4-one
PubChem CID134113756
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name1-phenyl-3-propylthieno[3,4-d]pyridazin-4-one
SMILESCCCn1nc(-c2ccccc2)c2cscc2c1=O
InChIInChI=1S/C15H14N2OS/c1-2-8-17-15(18)13-10-19-9-12(13)14(16-17)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3
InChIKeyAKZCFTFGIMOPBB-UHFFFAOYSA-N
XLogP3.54
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-diphenylthieno[3,4-d]pyridazin-4-one
CID 134113755
dimethyl-[2-(1-oxo-4-phenylphthalazin-2-yl)ethyl]azanium chloride
CID 43834263
ethyl 3-methyl-7-oxo-4-phenyl-6-propylthieno[2,3-d]pyridazine-2-carboxylate
CID 10760728
3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)thieno[3,4-d]pyridazin-4-one
CID 145260248
2-butyl-4-(3-chlorophenyl)phthalazin-1-one
CID 86166030
4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one
CID 82446598
6,7-dichloro-2-(3-chloropropyl)-4-phenylphthalazin-1-one
CID 142711544
4-[(2-methylpropylamino)methyl]-6-phenyl-2-propylpyridazin-3-one
CID 82446587
3-oxo-6-phenyl-2-propylpyridazine-4-carbonitrile
CID 82446579
4-oxo-N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-3-propylphthalazine-1-carbohydrazide
CID 27551732
2-(1-oxo-4-phenylphthalazin-2-yl)acetate
CID 4052053
4-methyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439380

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-propylthieno[3,4-d]pyridazin-4-one?
The IUPAC name of 1-phenyl-3-propylthieno[3,4-d]pyridazin-4-one (CID 134113756) is 1-phenyl-3-propylthieno[3,4-d]pyridazin-4-one.
What is the SMILES notation for 1-phenyl-3-propylthieno[3,4-d]pyridazin-4-one?
The canonical SMILES for 1-phenyl-3-propylthieno[3,4-d]pyridazin-4-one is CCCn1nc(-c2ccccc2)c2cscc2c1=O.
What is the InChIKey of 1-phenyl-3-propylthieno[3,4-d]pyridazin-4-one?
The InChIKey is AKZCFTFGIMOPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-2-8-17-15(18)13-10-19-9-12(13)14(16-17)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3.
What are the key properties of 1-phenyl-3-propylthieno[3,4-d]pyridazin-4-one?
1-phenyl-3-propylthieno[3,4-d]pyridazin-4-one has a molecular weight of 270.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-propylthieno[3,4-d]pyridazin-4-one is sourced from PubChem (CID 134113756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).