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

C10H12F3N3 — CID 139510207

IUPAC4-piperidin-4-yl-3-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1nnccc1C1CCNCC1
InChIInChI=1S/C10H12F3N3/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
InChIKeyXBDQGISUWQMXLW-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.96
Rot. Bonds1

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

4-piperidin-4-yl-3-(trifluoromethyl)pyridazine (PubChem CID 139510207) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 4-piperidin-4-yl-3-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name4-piperidin-4-yl-3-(trifluoromethyl)pyridazine
PubChem CID139510207
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name4-piperidin-4-yl-3-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1nnccc1C1CCNCC1
InChIInChI=1S/C10H12F3N3/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
InChIKeyXBDQGISUWQMXLW-UHFFFAOYSA-N
XLogP1.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5h,6h,7h,8h-Pyrido[4,3-c]pyridazine
CID 19761172
4-(Piperidin-4-yl)pyridazine dihydrochloride
CID 136574194
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-Piperidin-2-ylpyridazine
CID 90893541
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
1-[4-(Trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline
CID 66788798
1-pyridazin-3-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline
CID 66788799

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-3-(trifluoromethyl)pyridazine?
The IUPAC name of 4-piperidin-4-yl-3-(trifluoromethyl)pyridazine (CID 139510207) is 4-piperidin-4-yl-3-(trifluoromethyl)pyridazine.
What is the SMILES notation for 4-piperidin-4-yl-3-(trifluoromethyl)pyridazine?
The canonical SMILES for 4-piperidin-4-yl-3-(trifluoromethyl)pyridazine is FC(F)(F)c1nnccc1C1CCNCC1.
What is the InChIKey of 4-piperidin-4-yl-3-(trifluoromethyl)pyridazine?
The InChIKey is XBDQGISUWQMXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/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.
What are the key properties of 4-piperidin-4-yl-3-(trifluoromethyl)pyridazine?
4-piperidin-4-yl-3-(trifluoromethyl)pyridazine has a molecular weight of 231.22 g/mol, XLogP of 1.96, 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 is sourced from PubChem (CID 139510207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).