8-tert-butyl-3-(trifluoromethyl)-6,6a,7,9-tetrahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-10-one

C16H20F3N3O — CID 171587474

IUPAC8-tert-butyl-3-(trifluoromethyl)-6,6a,7,9-tetrahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-10-one
SMILESCC(C)(C)N1CC(=O)N2c3ncc(C(F)(F)F)cc3CCC2C1
InChIInChI=1S/C16H20F3N3O/c1-15(2,3)21-8-12-5-4-10-6-11(16(17,18)19)7-20-14(10)22(12)13(23)9-21/h6-7,12H,4-5,8-9H2,1-3H3
InChIKeyXSZBULBPWAPLKN-UHFFFAOYSA-N
MW327.35 g/mol
LogP2.86
Rot. Bonds

About 8-tert-butyl-3-(trifluoromethyl)-6,6a,7,9-tetrahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-10-one

8-tert-butyl-3-(trifluoromethyl)-6,6a,7,9-tetrahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-10-one (PubChem CID 171587474) has the molecular formula C16H20F3N3O and a molecular weight of 327.35 g/mol. Its IUPAC name is 8-tert-butyl-3-(trifluoromethyl)-6,6a,7,9-tetrahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-10-one.

Molecular Properties

Compound Name8-tert-butyl-3-(trifluoromethyl)-6,6a,7,9-tetrahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-10-one
PubChem CID171587474
Molecular FormulaC16H20F3N3O
Molecular Weight327.35 g/mol
Exact Mass327.16
IUPAC Name8-tert-butyl-3-(trifluoromethyl)-6,6a,7,9-tetrahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-10-one
SMILESCC(C)(C)N1CC(=O)N2c3ncc(C(F)(F)F)cc3CCC2C1
InChIInChI=1S/C16H20F3N3O/c1-15(2,3)21-8-12-5-4-10-6-11(16(17,18)19)7-20-14(10)22(12)13(23)9-21/h6-7,12H,4-5,8-9H2,1-3H3
InChIKeyXSZBULBPWAPLKN-UHFFFAOYSA-N
XLogP2.86
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-(trifluoromethyl)-6,6a,7,9-tetrahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-10-one?
The IUPAC name of 8-tert-butyl-3-(trifluoromethyl)-6,6a,7,9-tetrahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-10-one (CID 171587474) is 8-tert-butyl-3-(trifluoromethyl)-6,6a,7,9-tetrahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-10-one.
What is the SMILES notation for 8-tert-butyl-3-(trifluoromethyl)-6,6a,7,9-tetrahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-10-one?
The canonical SMILES for 8-tert-butyl-3-(trifluoromethyl)-6,6a,7,9-tetrahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-10-one is CC(C)(C)N1CC(=O)N2c3ncc(C(F)(F)F)cc3CCC2C1.
What is the InChIKey of 8-tert-butyl-3-(trifluoromethyl)-6,6a,7,9-tetrahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-10-one?
The InChIKey is XSZBULBPWAPLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O/c1-15(2,3)21-8-12-5-4-10-6-11(16(17,18)19)7-20-14(10)22(12)13(23)9-21/h6-7,12H,4-5,8-9H2,1-3H3.
What are the key properties of 8-tert-butyl-3-(trifluoromethyl)-6,6a,7,9-tetrahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-10-one?
8-tert-butyl-3-(trifluoromethyl)-6,6a,7,9-tetrahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-10-one has a molecular weight of 327.35 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3-(trifluoromethyl)-6,6a,7,9-tetrahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-10-one is sourced from PubChem (CID 171587474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).