3-(4-cyclopropylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine;hydrochloride

C18H20ClF3N4 — CID 68858617

IUPAC3-(4-cyclopropylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(-c2ccc(N3CCN(C4CC4)CC3)nn2)c1
InChIInChI=1S/C18H19F3N4.ClH/c19-18(20,21)14-3-1-2-13(12-14)16-6-7-17(23-22-16)25-10-8-24(9-11-25)15-4-5-15;/h1-3,6-7,12,15H,4-5,8-11H2;1H
InChIKeyUOWWRCHFIIZLFO-UHFFFAOYSA-N
MW384.83 g/mol
LogP3.87
Rot. Bonds3

About 3-(4-cyclopropylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine;hydrochloride

3-(4-cyclopropylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine;hydrochloride (PubChem CID 68858617) has the molecular formula C18H20ClF3N4 and a molecular weight of 384.83 g/mol. Its IUPAC name is 3-(4-cyclopropylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine;hydrochloride.

Molecular Properties

Compound Name3-(4-cyclopropylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine;hydrochloride
PubChem CID68858617
Molecular FormulaC18H20ClF3N4
Molecular Weight384.83 g/mol
Exact Mass384.13
IUPAC Name3-(4-cyclopropylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(-c2ccc(N3CCN(C4CC4)CC3)nn2)c1
InChIInChI=1S/C18H19F3N4.ClH/c19-18(20,21)14-3-1-2-13(12-14)16-6-7-17(23-22-16)25-10-8-24(9-11-25)15-4-5-15;/h1-3,6-7,12,15H,4-5,8-11H2;1H
InChIKeyUOWWRCHFIIZLFO-UHFFFAOYSA-N
XLogP3.87
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.83
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-cyclopropylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
CID 58878071
3-[6-[3,5-bis(trifluoromethyl)phenyl]pyridazin-3-yl]-9-cyclobutyl-3,9-diazaspiro[5.5]undecane
CID 59818730
3-(4-cyclopropylpiperazin-1-yl)-6-(3-nitrophenyl)pyridazine
CID 58006601
1-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 43992106
9-cyclobutyl-3-[6-(3-propan-2-yloxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane
CID 59818679
1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 784417
[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46292464
1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]pyrrole-2,5-diol
CID 91433845
N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 41006216
1-(6-phenylpyridazin-3-yl)piperidin-4-ol
CID 3022103
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 41077791
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(3-propan-2-ylphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 57443060

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine;hydrochloride?
The IUPAC name of 3-(4-cyclopropylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine;hydrochloride (CID 68858617) is 3-(4-cyclopropylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine;hydrochloride.
What is the SMILES notation for 3-(4-cyclopropylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine;hydrochloride?
The canonical SMILES for 3-(4-cyclopropylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine;hydrochloride is Cl.FC(F)(F)c1cccc(-c2ccc(N3CCN(C4CC4)CC3)nn2)c1.
What is the InChIKey of 3-(4-cyclopropylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine;hydrochloride?
The InChIKey is UOWWRCHFIIZLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4.ClH/c19-18(20,21)14-3-1-2-13(12-14)16-6-7-17(23-22-16)25-10-8-24(9-11-25)15-4-5-15;/h1-3,6-7,12,15H,4-5,8-11H2;1H.
What are the key properties of 3-(4-cyclopropylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine;hydrochloride?
3-(4-cyclopropylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine;hydrochloride has a molecular weight of 384.83 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine;hydrochloride is sourced from PubChem (CID 68858617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).