3-chloro-6-[4-[(2-ethylphenyl)methyl]piperazin-1-yl]pyridazine

C17H21ClN4 — CID 50969918

IUPAC3-chloro-6-[4-[(2-ethylphenyl)methyl]piperazin-1-yl]pyridazine
SMILESCCc1ccccc1CN1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C17H21ClN4/c1-2-14-5-3-4-6-15(14)13-21-9-11-22(12-10-21)17-8-7-16(18)19-20-17/h3-8H,2,9-13H2,1H3
InChIKeyIFCXZFGVYJIOOY-UHFFFAOYSA-N
MW316.84 g/mol
LogP3.01
Rot. Bonds4

About 3-chloro-6-[4-[(2-ethylphenyl)methyl]piperazin-1-yl]pyridazine

3-chloro-6-[4-[(2-ethylphenyl)methyl]piperazin-1-yl]pyridazine (PubChem CID 50969918) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is 3-chloro-6-[4-[(2-ethylphenyl)methyl]piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[4-[(2-ethylphenyl)methyl]piperazin-1-yl]pyridazine
PubChem CID50969918
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC Name3-chloro-6-[4-[(2-ethylphenyl)methyl]piperazin-1-yl]pyridazine
SMILESCCc1ccccc1CN1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C17H21ClN4/c1-2-14-5-3-4-6-15(14)13-21-9-11-22(12-10-21)17-8-7-16(18)19-20-17/h3-8H,2,9-13H2,1H3
InChIKeyIFCXZFGVYJIOOY-UHFFFAOYSA-N
XLogP3.01
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-(4-propylpiperazin-1-yl)pyridazine
CID 43090208
3-chloro-6-[4-(3-ethylphenyl)piperazin-1-yl]pyridazine
CID 15124551
3-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]propan-1-ol
CID 86762798
3-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 50965892
3-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyridazine
CID 55025868
2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethyl N-(2-methoxyphenyl)carbamate
CID 58904602
3-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyridazine
CID 20823118
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
3,6-dichloropyridazine;ethyl 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]acetate;ethyl 2-piperazin-1-ylacetate
CID 158361391
4-[[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl]-N-(2-hydroxyethyl)benzamide;hydrochloride
CID 19748283
(2-chlorophenyl)-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121038209
2-[[4-(2,6-dichloropyrimidin-4-yl)piperazin-1-yl]methyl]phenol
CID 86668910

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-[(2-ethylphenyl)methyl]piperazin-1-yl]pyridazine?
The IUPAC name of 3-chloro-6-[4-[(2-ethylphenyl)methyl]piperazin-1-yl]pyridazine (CID 50969918) is 3-chloro-6-[4-[(2-ethylphenyl)methyl]piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-chloro-6-[4-[(2-ethylphenyl)methyl]piperazin-1-yl]pyridazine?
The canonical SMILES for 3-chloro-6-[4-[(2-ethylphenyl)methyl]piperazin-1-yl]pyridazine is CCc1ccccc1CN1CCN(c2ccc(Cl)nn2)CC1.
What is the InChIKey of 3-chloro-6-[4-[(2-ethylphenyl)methyl]piperazin-1-yl]pyridazine?
The InChIKey is IFCXZFGVYJIOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/c1-2-14-5-3-4-6-15(14)13-21-9-11-22(12-10-21)17-8-7-16(18)19-20-17/h3-8H,2,9-13H2,1H3.
What are the key properties of 3-chloro-6-[4-[(2-ethylphenyl)methyl]piperazin-1-yl]pyridazine?
3-chloro-6-[4-[(2-ethylphenyl)methyl]piperazin-1-yl]pyridazine has a molecular weight of 316.84 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-[(2-ethylphenyl)methyl]piperazin-1-yl]pyridazine is sourced from PubChem (CID 50969918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).