3-chloro-6-(3-propoxypiperidin-1-yl)pyridazine

C12H18ClN3O — CID 54989826

IUPAC3-chloro-6-(3-propoxypiperidin-1-yl)pyridazine
SMILESCCCOC1CCCN(c2ccc(Cl)nn2)C1
InChIInChI=1S/C12H18ClN3O/c1-2-8-17-10-4-3-7-16(9-10)12-6-5-11(13)14-15-12/h5-6,10H,2-4,7-9H2,1H3
InChIKeyAOJPCCBCHIZRMK-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.53
Rot. Bonds4

About 3-chloro-6-(3-propoxypiperidin-1-yl)pyridazine

3-chloro-6-(3-propoxypiperidin-1-yl)pyridazine (PubChem CID 54989826) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-chloro-6-(3-propoxypiperidin-1-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(3-propoxypiperidin-1-yl)pyridazine
PubChem CID54989826
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name3-chloro-6-(3-propoxypiperidin-1-yl)pyridazine
SMILESCCCOC1CCCN(c2ccc(Cl)nn2)C1
InChIInChI=1S/C12H18ClN3O/c1-2-8-17-10-4-3-7-16(9-10)12-6-5-11(13)14-15-12/h5-6,10H,2-4,7-9H2,1H3
InChIKeyAOJPCCBCHIZRMK-UHFFFAOYSA-N
XLogP2.53
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-6-(3-propoxypiperidin-1-yl)pyridazine with MolForge

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

Launch Full Analysis

Related Compounds

N-[[6-(3-propoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-2-amine
CID 62288559
N-[[6-(3-propoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62288558
4-chloro-2-cyclopropyl-6-(3-propoxypiperidin-1-yl)pyrimidine
CID 80953514
2-chloro-6-(3-propoxypiperidin-1-yl)pyridine-4-carbonitrile
CID 83073559
4-chloro-2-(3-propoxypiperidin-1-yl)-1,3-thiazole
CID 83156216
(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine
CID 86318137
1-[2-chloro-4-(chloromethyl)phenyl]-3-propoxypiperidine
CID 81152608
6-(3-propoxypiperidin-1-yl)pyridine-2-carboxylic acid
CID 62239893
2-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
CID 80806981
N-[[6-(3-ethoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62287676
4-chloro-6-(3-propoxypiperidin-1-yl)pyrimidin-5-amine
CID 63022907
N-methyl-1-[6-(3-propoxypiperidin-1-yl)pyrazin-2-yl]methanamine
CID 66451853

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3-propoxypiperidin-1-yl)pyridazine?
The IUPAC name of 3-chloro-6-(3-propoxypiperidin-1-yl)pyridazine (CID 54989826) is 3-chloro-6-(3-propoxypiperidin-1-yl)pyridazine.
What is the SMILES notation for 3-chloro-6-(3-propoxypiperidin-1-yl)pyridazine?
The canonical SMILES for 3-chloro-6-(3-propoxypiperidin-1-yl)pyridazine is CCCOC1CCCN(c2ccc(Cl)nn2)C1.
What is the InChIKey of 3-chloro-6-(3-propoxypiperidin-1-yl)pyridazine?
The InChIKey is AOJPCCBCHIZRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-2-8-17-10-4-3-7-16(9-10)12-6-5-11(13)14-15-12/h5-6,10H,2-4,7-9H2,1H3.
What are the key properties of 3-chloro-6-(3-propoxypiperidin-1-yl)pyridazine?
3-chloro-6-(3-propoxypiperidin-1-yl)pyridazine has a molecular weight of 255.75 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3-propoxypiperidin-1-yl)pyridazine is sourced from PubChem (CID 54989826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).