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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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).