4,5-dichloro-2-[3-chloro-4-[(1-hydroxycyclobutyl)methylamino]phenyl]pyridazin-3-one

C15H14Cl3N3O2 — CID 133329815

IUPAC4,5-dichloro-2-[3-chloro-4-[(1-hydroxycyclobutyl)methylamino]phenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(NCC2(O)CCC2)c(Cl)c1
InChIInChI=1S/C15H14Cl3N3O2/c16-10-6-9(21-14(22)13(18)11(17)7-20-21)2-3-12(10)19-8-15(23)4-1-5-15/h2-3,6-7,19,23H,1,4-5,8H2
InChIKeyNOPDTOGWCQLUSD-UHFFFAOYSA-N
MW374.66 g/mol
LogP3.52
Rot. Bonds4

About 4,5-dichloro-2-[3-chloro-4-[(1-hydroxycyclobutyl)methylamino]phenyl]pyridazin-3-one

4,5-dichloro-2-[3-chloro-4-[(1-hydroxycyclobutyl)methylamino]phenyl]pyridazin-3-one (PubChem CID 133329815) has the molecular formula C15H14Cl3N3O2 and a molecular weight of 374.66 g/mol. Its IUPAC name is 4,5-dichloro-2-[3-chloro-4-[(1-hydroxycyclobutyl)methylamino]phenyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[3-chloro-4-[(1-hydroxycyclobutyl)methylamino]phenyl]pyridazin-3-one
PubChem CID133329815
Molecular FormulaC15H14Cl3N3O2
Molecular Weight374.66 g/mol
Exact Mass373.02
IUPAC Name4,5-dichloro-2-[3-chloro-4-[(1-hydroxycyclobutyl)methylamino]phenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(NCC2(O)CCC2)c(Cl)c1
InChIInChI=1S/C15H14Cl3N3O2/c16-10-6-9(21-14(22)13(18)11(17)7-20-21)2-3-12(10)19-8-15(23)4-1-5-15/h2-3,6-7,19,23H,1,4-5,8H2
InChIKeyNOPDTOGWCQLUSD-UHFFFAOYSA-N
XLogP3.52
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.66
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,5-dichloro-2-[3-chloro-4-[(1-hydroxycyclobutyl)methylamino]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-[(1-hydroxycyclobutyl)methylamino]phenyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[3-chloro-4-[(1-hydroxycyclobutyl)methylamino]phenyl]pyridazin-3-one (CID 133329815) is 4,5-dichloro-2-[3-chloro-4-[(1-hydroxycyclobutyl)methylamino]phenyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[3-chloro-4-[(1-hydroxycyclobutyl)methylamino]phenyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[3-chloro-4-[(1-hydroxycyclobutyl)methylamino]phenyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1-c1ccc(NCC2(O)CCC2)c(Cl)c1.
What is the InChIKey of 4,5-dichloro-2-[3-chloro-4-[(1-hydroxycyclobutyl)methylamino]phenyl]pyridazin-3-one?
The InChIKey is NOPDTOGWCQLUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3N3O2/c16-10-6-9(21-14(22)13(18)11(17)7-20-21)2-3-12(10)19-8-15(23)4-1-5-15/h2-3,6-7,19,23H,1,4-5,8H2.
What are the key properties of 4,5-dichloro-2-[3-chloro-4-[(1-hydroxycyclobutyl)methylamino]phenyl]pyridazin-3-one?
4,5-dichloro-2-[3-chloro-4-[(1-hydroxycyclobutyl)methylamino]phenyl]pyridazin-3-one has a molecular weight of 374.66 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[3-chloro-4-[(1-hydroxycyclobutyl)methylamino]phenyl]pyridazin-3-one is sourced from PubChem (CID 133329815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).