piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;hydrochloride

C12H17ClF3N5O — CID 134264225

IUPACpiperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;hydrochloride
SMILESCl.O=C(C1CCNCC1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C12H16F3N5O.ClH/c13-12(14,15)11-18-17-9-7-19(5-6-20(9)11)10(21)8-1-3-16-4-2-8;/h8,16H,1-7H2;1H
InChIKeySOWVIZLDMZLFBA-UHFFFAOYSA-N
MW339.75 g/mol
LogP1.06
Rot. Bonds1

About piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;hydrochloride

piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;hydrochloride (PubChem CID 134264225) has the molecular formula C12H17ClF3N5O and a molecular weight of 339.75 g/mol. Its IUPAC name is piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;hydrochloride.

Molecular Properties

Compound Namepiperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;hydrochloride
PubChem CID134264225
Molecular FormulaC12H17ClF3N5O
Molecular Weight339.75 g/mol
Exact Mass339.11
IUPAC Namepiperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;hydrochloride
SMILESCl.O=C(C1CCNCC1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C12H16F3N5O.ClH/c13-12(14,15)11-18-17-9-7-19(5-6-20(9)11)10(21)8-1-3-16-4-2-8;/h8,16H,1-7H2;1H
InChIKeySOWVIZLDMZLFBA-UHFFFAOYSA-N
XLogP1.06
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.75
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;hydrochloride?
The IUPAC name of piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;hydrochloride (CID 134264225) is piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;hydrochloride.
What is the SMILES notation for piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;hydrochloride?
The canonical SMILES for piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;hydrochloride is Cl.O=C(C1CCNCC1)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;hydrochloride?
The InChIKey is SOWVIZLDMZLFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5O.ClH/c13-12(14,15)11-18-17-9-7-19(5-6-20(9)11)10(21)8-1-3-16-4-2-8;/h8,16H,1-7H2;1H.
What are the key properties of piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;hydrochloride?
piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;hydrochloride has a molecular weight of 339.75 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;hydrochloride is sourced from PubChem (CID 134264225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).