3-chloro-6-[4-[1-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyridazine

C18H22ClN3O — CID 87577930

IUPAC3-chloro-6-[4-[1-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyridazine
SMILESCCC(Oc1ccc(-c2ccc(Cl)nn2)cc1)N1CCCC1C
InChIInChI=1S/C18H22ClN3O/c1-3-18(22-12-4-5-13(22)2)23-15-8-6-14(7-9-15)16-10-11-17(19)21-20-16/h6-11,13,18H,3-5,12H2,1-2H3
InChIKeyJTTSDTMCBKKVGR-UHFFFAOYSA-N
MW331.85 g/mol
LogP4.40
Rot. Bonds5

About 3-chloro-6-[4-[1-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyridazine

3-chloro-6-[4-[1-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyridazine (PubChem CID 87577930) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 3-chloro-6-[4-[1-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[4-[1-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyridazine
PubChem CID87577930
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name3-chloro-6-[4-[1-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyridazine
SMILESCCC(Oc1ccc(-c2ccc(Cl)nn2)cc1)N1CCCC1C
InChIInChI=1S/C18H22ClN3O/c1-3-18(22-12-4-5-13(22)2)23-15-8-6-14(7-9-15)16-10-11-17(19)21-20-16/h6-11,13,18H,3-5,12H2,1-2H3
InChIKeyJTTSDTMCBKKVGR-UHFFFAOYSA-N
XLogP4.40
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-6-[4-[1-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyridazine 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 3-chloro-6-[4-[1-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyridazine?
The IUPAC name of 3-chloro-6-[4-[1-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyridazine (CID 87577930) is 3-chloro-6-[4-[1-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[4-[1-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyridazine?
The canonical SMILES for 3-chloro-6-[4-[1-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyridazine is CCC(Oc1ccc(-c2ccc(Cl)nn2)cc1)N1CCCC1C.
What is the InChIKey of 3-chloro-6-[4-[1-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyridazine?
The InChIKey is JTTSDTMCBKKVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-3-18(22-12-4-5-13(22)2)23-15-8-6-14(7-9-15)16-10-11-17(19)21-20-16/h6-11,13,18H,3-5,12H2,1-2H3.
What are the key properties of 3-chloro-6-[4-[1-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyridazine?
3-chloro-6-[4-[1-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyridazine has a molecular weight of 331.85 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-[1-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyridazine is sourced from PubChem (CID 87577930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).