4,5-dichloro-2-[3-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]phenyl]pyridazin-3-one

C18H18Cl3N5O2 — CID 133305667

IUPAC4,5-dichloro-2-[3-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]phenyl]pyridazin-3-one
SMILESCC(C)c1noc(CCCNc2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2Cl)n1
InChIInChI=1S/C18H18Cl3N5O2/c1-10(2)17-24-15(28-25-17)4-3-7-22-14-6-5-11(8-12(14)19)26-18(27)16(21)13(20)9-23-26/h5-6,8-10,22H,3-4,7H2,1-2H3
InChIKeyCZTCTYRNSJNDJV-UHFFFAOYSA-N
MW442.73 g/mol
LogP4.74
Rot. Bonds7

About 4,5-dichloro-2-[3-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]phenyl]pyridazin-3-one

4,5-dichloro-2-[3-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]phenyl]pyridazin-3-one (PubChem CID 133305667) has the molecular formula C18H18Cl3N5O2 and a molecular weight of 442.73 g/mol. Its IUPAC name is 4,5-dichloro-2-[3-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]phenyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[3-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]phenyl]pyridazin-3-one
PubChem CID133305667
Molecular FormulaC18H18Cl3N5O2
Molecular Weight442.73 g/mol
Exact Mass441.05
IUPAC Name4,5-dichloro-2-[3-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]phenyl]pyridazin-3-one
SMILESCC(C)c1noc(CCCNc2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2Cl)n1
InChIInChI=1S/C18H18Cl3N5O2/c1-10(2)17-24-15(28-25-17)4-3-7-22-14-6-5-11(8-12(14)19)26-18(27)16(21)13(20)9-23-26/h5-6,8-10,22H,3-4,7H2,1-2H3
InChIKeyCZTCTYRNSJNDJV-UHFFFAOYSA-N
XLogP4.74
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.73
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4,5-dichloro-2-[3-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]phenyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[3-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]phenyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[3-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]phenyl]pyridazin-3-one (CID 133305667) is 4,5-dichloro-2-[3-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]phenyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[3-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]phenyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[3-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]phenyl]pyridazin-3-one is CC(C)c1noc(CCCNc2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2Cl)n1.
What is the InChIKey of 4,5-dichloro-2-[3-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]phenyl]pyridazin-3-one?
The InChIKey is CZTCTYRNSJNDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl3N5O2/c1-10(2)17-24-15(28-25-17)4-3-7-22-14-6-5-11(8-12(14)19)26-18(27)16(21)13(20)9-23-26/h5-6,8-10,22H,3-4,7H2,1-2H3.
What are the key properties of 4,5-dichloro-2-[3-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]phenyl]pyridazin-3-one?
4,5-dichloro-2-[3-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]phenyl]pyridazin-3-one has a molecular weight of 442.73 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[3-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]phenyl]pyridazin-3-one is sourced from PubChem (CID 133305667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).