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

C9H9F3N2O — CID 58916510

IUPAC8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one
SMILESO=c1cc(C(F)(F)F)cc2n1CCNC2
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)6-3-7-5-13-1-2-14(7)8(15)4-6/h3-4,13H,1-2,5H2
InChIKeyMBMNPRGHKXGTMP-UHFFFAOYSA-N
MW218.18 g/mol
LogP0.97
Rot. Bonds

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

8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one (PubChem CID 58916510) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one
PubChem CID58916510
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one
SMILESO=c1cc(C(F)(F)F)cc2n1CCNC2
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)6-3-7-5-13-1-2-14(7)8(15)4-6/h3-4,13H,1-2,5H2
InChIKeyMBMNPRGHKXGTMP-UHFFFAOYSA-N
XLogP0.97
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one?
The IUPAC name of 8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one (CID 58916510) is 8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one.
What is the SMILES notation for 8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one?
The canonical SMILES for 8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one is 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?
The InChIKey is MBMNPRGHKXGTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-9(11,12)6-3-7-5-13-1-2-14(7)8(15)4-6/h3-4,13H,1-2,5H2.
What are the key properties of 8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one?
8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one has a molecular weight of 218.18 g/mol, XLogP of 0.97, 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 is sourced from PubChem (CID 58916510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).