5-(2,3-dihydrothiophen-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one

C15H14N2OS — CID 71064372

IUPAC5-(2,3-dihydrothiophen-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccccc2)cc1CC1CC=CS1
InChIInChI=1S/C15H14N2OS/c18-15-12(9-13-7-4-8-19-13)10-14(16-17-15)11-5-2-1-3-6-11/h1-6,8,10,13H,7,9H2,(H,17,18)
InChIKeyTWUSLSZTYCCACT-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.00
Rot. Bonds3

About 5-(2,3-dihydrothiophen-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one

5-(2,3-dihydrothiophen-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one (PubChem CID 71064372) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 5-(2,3-dihydrothiophen-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(2,3-dihydrothiophen-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one
PubChem CID71064372
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name5-(2,3-dihydrothiophen-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccccc2)cc1CC1CC=CS1
InChIInChI=1S/C15H14N2OS/c18-15-12(9-13-7-4-8-19-13)10-14(16-17-15)11-5-2-1-3-6-11/h1-6,8,10,13H,7,9H2,(H,17,18)
InChIKeyTWUSLSZTYCCACT-UHFFFAOYSA-N
XLogP3.00
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydrothiophen-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 5-(2,3-dihydrothiophen-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one (CID 71064372) is 5-(2,3-dihydrothiophen-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(2,3-dihydrothiophen-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 5-(2,3-dihydrothiophen-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one is O=c1[nH]nc(-c2ccccc2)cc1CC1CC=CS1.
What is the InChIKey of 5-(2,3-dihydrothiophen-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one?
The InChIKey is TWUSLSZTYCCACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c18-15-12(9-13-7-4-8-19-13)10-14(16-17-15)11-5-2-1-3-6-11/h1-6,8,10,13H,7,9H2,(H,17,18).
What are the key properties of 5-(2,3-dihydrothiophen-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one?
5-(2,3-dihydrothiophen-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one has a molecular weight of 270.36 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydrothiophen-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 71064372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).