8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one;hydrochloride

C9H10ClF3N2O — CID 135262678

IUPAC8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one;hydrochloride
SMILESCl.O=c1cc(C(F)(F)F)cc2n1CCNC2
InChIInChI=1S/C9H9F3N2O.ClH/c10-9(11,12)6-3-7-5-13-1-2-14(7)8(15)4-6;/h3-4,13H,1-2,5H2;1H
InChIKeyRIRRAXWBVLYBTE-UHFFFAOYSA-N
MW254.64 g/mol
LogP1.39
Rot. Bonds

About 8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one;hydrochloride

8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one;hydrochloride (PubChem CID 135262678) has the molecular formula C9H10ClF3N2O and a molecular weight of 254.64 g/mol. Its IUPAC name is 8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one;hydrochloride.

Molecular Properties

Compound Name8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one;hydrochloride
PubChem CID135262678
Molecular FormulaC9H10ClF3N2O
Molecular Weight254.64 g/mol
Exact Mass254.04
IUPAC Name8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one;hydrochloride
SMILESCl.O=c1cc(C(F)(F)F)cc2n1CCNC2
InChIInChI=1S/C9H9F3N2O.ClH/c10-9(11,12)6-3-7-5-13-1-2-14(7)8(15)4-6;/h3-4,13H,1-2,5H2;1H
InChIKeyRIRRAXWBVLYBTE-UHFFFAOYSA-N
XLogP1.39
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.64
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(Trifluoromethyl)-1,2,3,4-tetrahydro-6H-pyrido[1,2-a]pyrazine-6-one
CID 58916510
9-Methyl-8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one
CID 71180337
2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide
CID 71192986
2-[(Z,5S)-5-aminohept-3-enoyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane
CID 143085694
N-[(2E,4Z)-5-methyl-6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)hexa-2,4-dien-2-yl]acetamide
CID 169984286
1-[2-(5-Amino-2-oxo-1-pyridinyl)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279408
1-(2-Piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one
CID 63280381
2-(2-oxo-1-pyridinyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 72050177
1-(Aminomethyl)-8-(trifluoromethyl)quinolizin-4-one
CID 115044591
2-(Aminomethyl)-4-(difluoromethyl)-6-hydroxy-3-methylpyridine
CID 118808535
2-(Aminomethyl)-4-(difluoromethyl)-6-hydroxypyridine
CID 118808798
2-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride
CID 119112162

Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one;hydrochloride?
The IUPAC name of 8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one;hydrochloride (CID 135262678) is 8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one;hydrochloride.
What is the SMILES notation for 8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one;hydrochloride?
The canonical SMILES for 8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one;hydrochloride is Cl.O=c1cc(C(F)(F)F)cc2n1CCNC2.
What is the InChIKey of 8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one;hydrochloride?
The InChIKey is RIRRAXWBVLYBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O.ClH/c10-9(11,12)6-3-7-5-13-1-2-14(7)8(15)4-6;/h3-4,13H,1-2,5H2;1H.
What are the key properties of 8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one;hydrochloride?
8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one;hydrochloride has a molecular weight of 254.64 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one;hydrochloride is sourced from PubChem (CID 135262678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).