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

C12H16ClF3N4 — CID 174468323

IUPAC3-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)pyridazine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(N2CCN(C3CC3)CC2)nn1
InChIInChI=1S/C12H15F3N4.ClH/c13-12(14,15)10-3-4-11(17-16-10)19-7-5-18(6-8-19)9-1-2-9;/h3-4,9H,1-2,5-8H2;1H
InChIKeyGMLARQKRCPMNIZ-UHFFFAOYSA-N
MW308.74 g/mol
LogP2.20
Rot. Bonds2

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

3-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)pyridazine;hydrochloride (PubChem CID 174468323) has the molecular formula C12H16ClF3N4 and a molecular weight of 308.74 g/mol. Its IUPAC name is 3-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)pyridazine;hydrochloride.

Molecular Properties

Compound Name3-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)pyridazine;hydrochloride
PubChem CID174468323
Molecular FormulaC12H16ClF3N4
Molecular Weight308.74 g/mol
Exact Mass308.10
IUPAC Name3-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)pyridazine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(N2CCN(C3CC3)CC2)nn1
InChIInChI=1S/C12H15F3N4.ClH/c13-12(14,15)10-3-4-11(17-16-10)19-7-5-18(6-8-19)9-1-2-9;/h3-4,9H,1-2,5-8H2;1H
InChIKeyGMLARQKRCPMNIZ-UHFFFAOYSA-N
XLogP2.20
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-Methylpyridazin-3-yl)piperidin-3-amine
CID 53532673
1-(Cyclopropylmethyl)-2-isopropyl-4-(6-methylpyridazin-3-YL)-1,4-diazepane
CID 56863949
N-(3-methylbut-2-enyl)-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 72144296
N,6-dimethyl-N-(piperidin-4-yl)pyridazin-3-amine hydrobromide
CID 54593803
3-methyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyridazine
CID 97437928
N,N-dimethyl-N'-propan-2-yl-N'-[6-(trifluoromethyl)pyridazin-3-yl]ethane-1,2-diamine
CID 99838529
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-6-propan-2-ylpyridazin-3-amine
CID 164632055
3-[4-[(1-Cyclobutylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine
CID 11501830
3-[4-[(1-Propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine
CID 11660708
3-(Piperazin-1-yl)-6-(trifluoromethyl)pyridazine
CID 46837493
Tert-butyl 4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 53485513
3-(4-Cyclopropylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine
CID 57919375

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)pyridazine;hydrochloride?
The IUPAC name of 3-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)pyridazine;hydrochloride (CID 174468323) is 3-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)pyridazine;hydrochloride.
What is the SMILES notation for 3-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)pyridazine;hydrochloride?
The canonical SMILES for 3-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)pyridazine;hydrochloride is Cl.FC(F)(F)c1ccc(N2CCN(C3CC3)CC2)nn1.
What is the InChIKey of 3-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)pyridazine;hydrochloride?
The InChIKey is GMLARQKRCPMNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4.ClH/c13-12(14,15)10-3-4-11(17-16-10)19-7-5-18(6-8-19)9-1-2-9;/h3-4,9H,1-2,5-8H2;1H.
What are the key properties of 3-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)pyridazine;hydrochloride?
3-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)pyridazine;hydrochloride has a molecular weight of 308.74 g/mol, XLogP of 2.20, 2 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-(trifluoromethyl)pyridazine;hydrochloride is sourced from PubChem (CID 174468323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).