4,5-dichloro-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one

C11H6Cl2N4O2S — CID 2469934

IUPAC4,5-dichloro-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C11H6Cl2N4O2S/c12-6-4-14-17(11(18)9(6)13)5-8-15-16-10(19-8)7-2-1-3-20-7/h1-4H,5H2
InChIKeyOJYJMKDEJWTGNH-UHFFFAOYSA-N
MW329.17 g/mol
LogP2.71
Rot. Bonds3

About 4,5-dichloro-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one

4,5-dichloro-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one (PubChem CID 2469934) has the molecular formula C11H6Cl2N4O2S and a molecular weight of 329.17 g/mol. Its IUPAC name is 4,5-dichloro-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one
PubChem CID2469934
Molecular FormulaC11H6Cl2N4O2S
Molecular Weight329.17 g/mol
Exact Mass327.96
IUPAC Name4,5-dichloro-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C11H6Cl2N4O2S/c12-6-4-14-17(11(18)9(6)13)5-8-15-16-10(19-8)7-2-1-3-20-7/h1-4H,5H2
InChIKeyOJYJMKDEJWTGNH-UHFFFAOYSA-N
XLogP2.71
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one (CID 2469934) is 4,5-dichloro-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1Cc1nnc(-c2cccs2)o1.
What is the InChIKey of 4,5-dichloro-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one?
The InChIKey is OJYJMKDEJWTGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N4O2S/c12-6-4-14-17(11(18)9(6)13)5-8-15-16-10(19-8)7-2-1-3-20-7/h1-4H,5H2.
What are the key properties of 4,5-dichloro-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one?
4,5-dichloro-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one has a molecular weight of 329.17 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 2469934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).