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

C15H12N2OS — CID 14027438

IUPAC3-phenyl-5-(thiophen-2-ylmethyl)-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccccc2)cc1Cc1cccs1
InChIInChI=1S/C15H12N2OS/c18-15-12(9-13-7-4-8-19-13)10-14(16-17-15)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,17,18)
InChIKeyZXZPDMPQIPMVBY-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.09
Rot. Bonds3

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

3-phenyl-5-(thiophen-2-ylmethyl)-1H-pyridazin-6-one (PubChem CID 14027438) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-phenyl-5-(thiophen-2-ylmethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-phenyl-5-(thiophen-2-ylmethyl)-1H-pyridazin-6-one
PubChem CID14027438
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name3-phenyl-5-(thiophen-2-ylmethyl)-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccccc2)cc1Cc1cccs1
InChIInChI=1S/C15H12N2OS/c18-15-12(9-13-7-4-8-19-13)10-14(16-17-15)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,17,18)
InChIKeyZXZPDMPQIPMVBY-UHFFFAOYSA-N
XLogP3.09
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(thiophen-2-ylmethyl)-1H-pyridazin-6-one?
The IUPAC name of 3-phenyl-5-(thiophen-2-ylmethyl)-1H-pyridazin-6-one (CID 14027438) is 3-phenyl-5-(thiophen-2-ylmethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-phenyl-5-(thiophen-2-ylmethyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-phenyl-5-(thiophen-2-ylmethyl)-1H-pyridazin-6-one is O=c1[nH]nc(-c2ccccc2)cc1Cc1cccs1.
What is the InChIKey of 3-phenyl-5-(thiophen-2-ylmethyl)-1H-pyridazin-6-one?
The InChIKey is ZXZPDMPQIPMVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c18-15-12(9-13-7-4-8-19-13)10-14(16-17-15)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,17,18).
What are the key properties of 3-phenyl-5-(thiophen-2-ylmethyl)-1H-pyridazin-6-one?
3-phenyl-5-(thiophen-2-ylmethyl)-1H-pyridazin-6-one has a molecular weight of 268.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(thiophen-2-ylmethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 14027438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).