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

C13H7Cl3N4O2 — CID 2460667

IUPAC4,5-dichloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1Cc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C13H7Cl3N4O2/c14-8-3-1-7(2-4-8)12-19-18-10(22-12)6-20-13(21)11(16)9(15)5-17-20/h1-5H,6H2
InChIKeyJZLIRWOEBPNNEI-UHFFFAOYSA-N
MW357.58 g/mol
LogP3.30
Rot. Bonds3

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

4,5-dichloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridazin-3-one (PubChem CID 2460667) has the molecular formula C13H7Cl3N4O2 and a molecular weight of 357.58 g/mol. Its IUPAC name is 4,5-dichloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridazin-3-one
PubChem CID2460667
Molecular FormulaC13H7Cl3N4O2
Molecular Weight357.58 g/mol
Exact Mass355.96
IUPAC Name4,5-dichloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1Cc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C13H7Cl3N4O2/c14-8-3-1-7(2-4-8)12-19-18-10(22-12)6-20-13(21)11(16)9(15)5-17-20/h1-5H,6H2
InChIKeyJZLIRWOEBPNNEI-UHFFFAOYSA-N
XLogP3.30
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.58
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-Chlorophenyl)-N-(1-methylethyl)-1,3,4-oxadiazole-2-methanamine
CID 4961735
2-[[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4,5-dichloropyridazin-3-one
CID 2530952
2-[[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 4881349
1-(2-chloro-6-fluorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 9197057
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-isopropyl-2,3-dihydro-p-dioxin-5-carboxamide
CID 24686806
2-amino-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 134155619
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 3403385
2-[[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6-diphenyl-1,2,4-triazin-3-one
CID 10813067
N-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}cyclopropanamine
CID 2497585
2-(tert-butyl)-4-chloro-5-((5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl)methoxy)pyridazin-3(2H)-one
CID 11811334
Ethyl 4-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}piperazine-1-carboxylate
CID 24761542
Ethyl 4-((5-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl)methyl)piperazine-1-carboxylate
CID 10451701

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridazin-3-one (CID 2460667) is 4,5-dichloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1Cc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 4,5-dichloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridazin-3-one?
The InChIKey is JZLIRWOEBPNNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N4O2/c14-8-3-1-7(2-4-8)12-19-18-10(22-12)6-20-13(21)11(16)9(15)5-17-20/h1-5H,6H2.
What are the key properties of 4,5-dichloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridazin-3-one?
4,5-dichloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridazin-3-one has a molecular weight of 357.58 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 2460667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).