3-(3,4-dichlorophenyl)-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]pyridazine

C22H29Cl2N5 — CID 59442760

IUPAC3-(3,4-dichlorophenyl)-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]pyridazine
SMILESCN1CCCCC1CCN1CCN(c2ccc(-c3ccc(Cl)c(Cl)c3)nn2)CC1
InChIInChI=1S/C22H29Cl2N5/c1-27-10-3-2-4-18(27)9-11-28-12-14-29(15-13-28)22-8-7-21(25-26-22)17-5-6-19(23)20(24)16-17/h5-8,16,18H,2-4,9-15H2,1H3
InChIKeyCIOWHVYAYUAODC-UHFFFAOYSA-N
MW434.42 g/mol
LogP4.45
Rot. Bonds5

About 3-(3,4-dichlorophenyl)-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]pyridazine

3-(3,4-dichlorophenyl)-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]pyridazine (PubChem CID 59442760) has the molecular formula C22H29Cl2N5 and a molecular weight of 434.42 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]pyridazine
PubChem CID59442760
Molecular FormulaC22H29Cl2N5
Molecular Weight434.42 g/mol
Exact Mass433.18
IUPAC Name3-(3,4-dichlorophenyl)-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]pyridazine
SMILESCN1CCCCC1CCN1CCN(c2ccc(-c3ccc(Cl)c(Cl)c3)nn2)CC1
InChIInChI=1S/C22H29Cl2N5/c1-27-10-3-2-4-18(27)9-11-28-12-14-29(15-13-28)22-8-7-21(25-26-22)17-5-6-19(23)20(24)16-17/h5-8,16,18H,2-4,9-15H2,1H3
InChIKeyCIOWHVYAYUAODC-UHFFFAOYSA-N
XLogP4.45
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine
CID 59442788
1-(4-cyclobutylpiperazin-1-yl)-3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]propan-2-one
CID 143404073
3-(3-chlorophenyl)-6-[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]pyridazine
CID 59442820
[4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridazin-3-yl]phenyl]-piperidin-1-ylmethanamine
CID 174692584
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
1-[6-(4-fluorophenyl)pyridazin-3-yl]-4-propyl-1,4-diazepane
CID 133314322
1-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine
CID 59442849
3-(4-methylpiperazin-1-yl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine
CID 74237145
2-chloro-4-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridine
CID 95804418
3-[4-(piperidin-1-ylmethyl)phenyl]-6-(4-propan-2-ylpiperazin-1-yl)pyridazine
CID 58006735
4-methoxy-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]quinazoline
CID 126894851
1-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine
CID 127711647

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]pyridazine?
The IUPAC name of 3-(3,4-dichlorophenyl)-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]pyridazine (CID 59442760) is 3-(3,4-dichlorophenyl)-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]pyridazine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]pyridazine is CN1CCCCC1CCN1CCN(c2ccc(-c3ccc(Cl)c(Cl)c3)nn2)CC1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]pyridazine?
The InChIKey is CIOWHVYAYUAODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29Cl2N5/c1-27-10-3-2-4-18(27)9-11-28-12-14-29(15-13-28)22-8-7-21(25-26-22)17-5-6-19(23)20(24)16-17/h5-8,16,18H,2-4,9-15H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]pyridazine?
3-(3,4-dichlorophenyl)-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]pyridazine has a molecular weight of 434.42 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]pyridazine is sourced from PubChem (CID 59442760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).