3-chloro-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridazine

C16H19ClN4 — CID 15124627

IUPAC3-chloro-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridazine
SMILESCc1cccc(N2CCN(c3ccc(Cl)nn3)CC2C)c1
InChIInChI=1S/C16H19ClN4/c1-12-4-3-5-14(10-12)21-9-8-20(11-13(21)2)16-7-6-15(17)18-19-16/h3-7,10,13H,8-9,11H2,1-2H3
InChIKeyCYRDPKCPKPNPRS-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.15
Rot. Bonds2

About 3-chloro-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridazine

3-chloro-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridazine (PubChem CID 15124627) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-chloro-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridazine
PubChem CID15124627
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name3-chloro-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridazine
SMILESCc1cccc(N2CCN(c3ccc(Cl)nn3)CC2C)c1
InChIInChI=1S/C16H19ClN4/c1-12-4-3-5-14(10-12)21-9-8-20(11-13(21)2)16-7-6-15(17)18-19-16/h3-7,10,13H,8-9,11H2,1-2H3
InChIKeyCYRDPKCPKPNPRS-UHFFFAOYSA-N
XLogP3.15
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-6-[3-methyl-4-(3-methylphenyl)piperazin-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

3-chloro-6-(3,4-dimethylpiperazin-1-yl)pyridazine
CID 63604413
[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-[1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 46297905
1-(3,5-dimethylpyrazol-1-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]phthalazine
CID 22433550
3-chloro-6-[4-(3-ethylphenyl)piperazin-1-yl]pyridazine
CID 15124551
N-(3,4-dichlorophenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carbothioamide
CID 23910009
2-(1-benzothiophen-3-yl)-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazine
CID 6482920
1-(6-chloropyridazin-3-yl)-4-methylpyrrolidin-3-ol
CID 131113638
2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)sulfonylquinoline
CID 92745933
5-(4-chlorophenyl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 20964589
3-amino-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 69365642
4,6-dimethyl-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile
CID 11903495
2-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-4-amine
CID 104918819

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridazine?
The IUPAC name of 3-chloro-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridazine (CID 15124627) is 3-chloro-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-chloro-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridazine?
The canonical SMILES for 3-chloro-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridazine is Cc1cccc(N2CCN(c3ccc(Cl)nn3)CC2C)c1.
What is the InChIKey of 3-chloro-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridazine?
The InChIKey is CYRDPKCPKPNPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-12-4-3-5-14(10-12)21-9-8-20(11-13(21)2)16-7-6-15(17)18-19-16/h3-7,10,13H,8-9,11H2,1-2H3.
What are the key properties of 3-chloro-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridazine?
3-chloro-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridazine has a molecular weight of 302.81 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 15124627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).