4-piperidin-4-yl-3-(trifluoromethyl)pyridazine;hydrochloride

C10H13ClF3N3 — CID 139510206

IUPAC4-piperidin-4-yl-3-(trifluoromethyl)pyridazine;hydrochloride
SMILESCl.FC(F)(F)c1nnccc1C1CCNCC1
InChIInChI=1S/C10H12F3N3.ClH/c11-10(12,13)9-8(3-6-15-16-9)7-1-4-14-5-2-7;/h3,6-7,14H,1-2,4-5H2;1H
InChIKeyCNTAYRMGOPUZER-UHFFFAOYSA-N
MW267.68 g/mol
LogP2.38
Rot. Bonds1

About 4-piperidin-4-yl-3-(trifluoromethyl)pyridazine;hydrochloride

4-piperidin-4-yl-3-(trifluoromethyl)pyridazine;hydrochloride (PubChem CID 139510206) has the molecular formula C10H13ClF3N3 and a molecular weight of 267.68 g/mol. Its IUPAC name is 4-piperidin-4-yl-3-(trifluoromethyl)pyridazine;hydrochloride.

Molecular Properties

Compound Name4-piperidin-4-yl-3-(trifluoromethyl)pyridazine;hydrochloride
PubChem CID139510206
Molecular FormulaC10H13ClF3N3
Molecular Weight267.68 g/mol
Exact Mass267.08
IUPAC Name4-piperidin-4-yl-3-(trifluoromethyl)pyridazine;hydrochloride
SMILESCl.FC(F)(F)c1nnccc1C1CCNCC1
InChIInChI=1S/C10H12F3N3.ClH/c11-10(12,13)9-8(3-6-15-16-9)7-1-4-14-5-2-7;/h3,6-7,14H,1-2,4-5H2;1H
InChIKeyCNTAYRMGOPUZER-UHFFFAOYSA-N
XLogP2.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5H,6H,7H,8H-pyrido(4,3-c)pyridazine dihydrochloride
CID 137945026
3-(Piperidin-4-yl)pyridazine dihydrochloride
CID 145867173
3-(Pyrrolidin-3-yl)pyridazine dihydrochloride
CID 165949024
3-(1,1-Difluoro-3-piperidin-4-ylpropyl)-6-methylpyridazine
CID 18187498
3-(Piperidin-4-yl)pyridazine
CID 53883965
4-(Piperidin-4-yl)pyridazine
CID 53925246
3-(Azetidin-3-yl)pyridazine
CID 59418298
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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-3-(trifluoromethyl)pyridazine;hydrochloride?
The IUPAC name of 4-piperidin-4-yl-3-(trifluoromethyl)pyridazine;hydrochloride (CID 139510206) is 4-piperidin-4-yl-3-(trifluoromethyl)pyridazine;hydrochloride.
What is the SMILES notation for 4-piperidin-4-yl-3-(trifluoromethyl)pyridazine;hydrochloride?
The canonical SMILES for 4-piperidin-4-yl-3-(trifluoromethyl)pyridazine;hydrochloride is Cl.FC(F)(F)c1nnccc1C1CCNCC1.
What is the InChIKey of 4-piperidin-4-yl-3-(trifluoromethyl)pyridazine;hydrochloride?
The InChIKey is CNTAYRMGOPUZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3.ClH/c11-10(12,13)9-8(3-6-15-16-9)7-1-4-14-5-2-7;/h3,6-7,14H,1-2,4-5H2;1H.
What are the key properties of 4-piperidin-4-yl-3-(trifluoromethyl)pyridazine;hydrochloride?
4-piperidin-4-yl-3-(trifluoromethyl)pyridazine;hydrochloride has a molecular weight of 267.68 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-3-(trifluoromethyl)pyridazine;hydrochloride is sourced from PubChem (CID 139510206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).