3,6-dichloro-4-[4-[2-(2,6-dimethylphenoxy)ethyl]piperazin-1-yl]pyridazine

C18H22Cl2N4O — CID 15984725

IUPAC3,6-dichloro-4-[4-[2-(2,6-dimethylphenoxy)ethyl]piperazin-1-yl]pyridazine
SMILESCc1cccc(C)c1OCCN1CCN(c2cc(Cl)nnc2Cl)CC1
InChIInChI=1S/C18H22Cl2N4O/c1-13-4-3-5-14(2)17(13)25-11-10-23-6-8-24(9-7-23)15-12-16(19)21-22-18(15)20/h3-5,12H,6-11H2,1-2H3
InChIKeyINUOZCJDDMVDHR-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.60
Rot. Bonds5

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

3,6-dichloro-4-[4-[2-(2,6-dimethylphenoxy)ethyl]piperazin-1-yl]pyridazine (PubChem CID 15984725) has the molecular formula C18H22Cl2N4O and a molecular weight of 381.31 g/mol. Its IUPAC name is 3,6-dichloro-4-[4-[2-(2,6-dimethylphenoxy)ethyl]piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-[4-[2-(2,6-dimethylphenoxy)ethyl]piperazin-1-yl]pyridazine
PubChem CID15984725
Molecular FormulaC18H22Cl2N4O
Molecular Weight381.31 g/mol
Exact Mass380.12
IUPAC Name3,6-dichloro-4-[4-[2-(2,6-dimethylphenoxy)ethyl]piperazin-1-yl]pyridazine
SMILESCc1cccc(C)c1OCCN1CCN(c2cc(Cl)nnc2Cl)CC1
InChIInChI=1S/C18H22Cl2N4O/c1-13-4-3-5-14(2)17(13)25-11-10-23-6-8-24(9-7-23)15-12-16(19)21-22-18(15)20/h3-5,12H,6-11H2,1-2H3
InChIKeyINUOZCJDDMVDHR-UHFFFAOYSA-N
XLogP3.60
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-[4-(3,6-dichloropyridazin-4-yl)piperazin-1-yl]ethoxy]pyridine-3-carboxylic acid
CID 142694635
1-[4-[2-[4-(3,6-dichloropyridazin-4-yl)piperazin-1-yl]ethoxy]phenyl]ethanone;1-(4-hydroxyphenyl)ethanone
CID 158692155
1-benzyl-4-[2-(2,6-dimethylphenoxy)ethyl]piperazine
CID 11278783
3,6-dichloro-4-(4-methylpiperazin-1-yl)pyridazine
CID 537742
1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-amine;hydrochloride
CID 120965850
ethyl 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylate
CID 114011878
1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 120966169
1-(2-methylphenyl)-4-(2-pyridin-2-yloxyethyl)piperazine;hydrochloride
CID 21149439
3-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethoxy]benzaldehyde
CID 152762852
1-[6-(2,6-dimethylphenoxy)hexyl]piperidine
CID 2304722
[3-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 112612262
2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]quinoxaline
CID 67885692

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-[4-[2-(2,6-dimethylphenoxy)ethyl]piperazin-1-yl]pyridazine?
The IUPAC name of 3,6-dichloro-4-[4-[2-(2,6-dimethylphenoxy)ethyl]piperazin-1-yl]pyridazine (CID 15984725) is 3,6-dichloro-4-[4-[2-(2,6-dimethylphenoxy)ethyl]piperazin-1-yl]pyridazine.
What is the SMILES notation for 3,6-dichloro-4-[4-[2-(2,6-dimethylphenoxy)ethyl]piperazin-1-yl]pyridazine?
The canonical SMILES for 3,6-dichloro-4-[4-[2-(2,6-dimethylphenoxy)ethyl]piperazin-1-yl]pyridazine is Cc1cccc(C)c1OCCN1CCN(c2cc(Cl)nnc2Cl)CC1.
What is the InChIKey of 3,6-dichloro-4-[4-[2-(2,6-dimethylphenoxy)ethyl]piperazin-1-yl]pyridazine?
The InChIKey is INUOZCJDDMVDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O/c1-13-4-3-5-14(2)17(13)25-11-10-23-6-8-24(9-7-23)15-12-16(19)21-22-18(15)20/h3-5,12H,6-11H2,1-2H3.
What are the key properties of 3,6-dichloro-4-[4-[2-(2,6-dimethylphenoxy)ethyl]piperazin-1-yl]pyridazine?
3,6-dichloro-4-[4-[2-(2,6-dimethylphenoxy)ethyl]piperazin-1-yl]pyridazine has a molecular weight of 381.31 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-[4-[2-(2,6-dimethylphenoxy)ethyl]piperazin-1-yl]pyridazine is sourced from PubChem (CID 15984725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).