2,7-dimethyl-3-(trifluoromethyl)-5H-pyrido[2,3-b]pyrazine-6-thione

C10H8F3N3S — CID 118004983

IUPAC2,7-dimethyl-3-(trifluoromethyl)-5H-pyrido[2,3-b]pyrazine-6-thione
SMILESCc1nc2cc(C)c(=S)[nH]c2nc1C(F)(F)F
InChIInChI=1S/C10H8F3N3S/c1-4-3-6-8(16-9(4)17)15-7(5(2)14-6)10(11,12)13/h3H,1-2H3,(H,15,16,17)
InChIKeyOYQXBIUDXXNQNX-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.32
Rot. Bonds

About 2,7-dimethyl-3-(trifluoromethyl)-5H-pyrido[2,3-b]pyrazine-6-thione

2,7-dimethyl-3-(trifluoromethyl)-5H-pyrido[2,3-b]pyrazine-6-thione (PubChem CID 118004983) has the molecular formula C10H8F3N3S and a molecular weight of 259.26 g/mol. Its IUPAC name is 2,7-dimethyl-3-(trifluoromethyl)-5H-pyrido[2,3-b]pyrazine-6-thione.

Molecular Properties

Compound Name2,7-dimethyl-3-(trifluoromethyl)-5H-pyrido[2,3-b]pyrazine-6-thione
PubChem CID118004983
Molecular FormulaC10H8F3N3S
Molecular Weight259.26 g/mol
Exact Mass259.04
IUPAC Name2,7-dimethyl-3-(trifluoromethyl)-5H-pyrido[2,3-b]pyrazine-6-thione
SMILESCc1nc2cc(C)c(=S)[nH]c2nc1C(F)(F)F
InChIInChI=1S/C10H8F3N3S/c1-4-3-6-8(16-9(4)17)15-7(5(2)14-6)10(11,12)13/h3H,1-2H3,(H,15,16,17)
InChIKeyOYQXBIUDXXNQNX-UHFFFAOYSA-N
XLogP3.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-5-methyl-3-propan-2-yl-7-(trifluoromethyl)-1H-1,8-naphthyridine-2-thione
CID 122543709
2-fluoro-3-methyl-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione
CID 122543734
5,6-difluoro-3-methyl-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one
CID 118004970
3-methyl-5-(trifluoromethyl)-1H-pyridine-2-thione
CID 97033267
5-fluoro-2,3-dimethyl-6-(trifluoromethyl)pyridine
CID 166140585
2-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
CID 79798998
6-bromo-N,3,5,7-tetramethyl-2-(trifluoromethyl)quinolin-4-amine
CID 107578764
[5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]methanol
CID 105438499
5-fluoro-3-propan-2-yl-7-(trifluoromethyl)-1H-1,8-naphthyridine-2-thione
CID 122543701
6-methyl-5-(trifluoromethyl)thieno[3,2-b]pyridine
CID 59866219
N,3,4-trimethyl-6-(trifluoromethyl)pyridin-2-amine
CID 146493978
5,7-dimethyl-3,4-dipropyl-2-(trifluoromethyl)quinoline
CID 162414301

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-3-(trifluoromethyl)-5H-pyrido[2,3-b]pyrazine-6-thione?
The IUPAC name of 2,7-dimethyl-3-(trifluoromethyl)-5H-pyrido[2,3-b]pyrazine-6-thione (CID 118004983) is 2,7-dimethyl-3-(trifluoromethyl)-5H-pyrido[2,3-b]pyrazine-6-thione.
What is the SMILES notation for 2,7-dimethyl-3-(trifluoromethyl)-5H-pyrido[2,3-b]pyrazine-6-thione?
The canonical SMILES for 2,7-dimethyl-3-(trifluoromethyl)-5H-pyrido[2,3-b]pyrazine-6-thione is Cc1nc2cc(C)c(=S)[nH]c2nc1C(F)(F)F.
What is the InChIKey of 2,7-dimethyl-3-(trifluoromethyl)-5H-pyrido[2,3-b]pyrazine-6-thione?
The InChIKey is OYQXBIUDXXNQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3S/c1-4-3-6-8(16-9(4)17)15-7(5(2)14-6)10(11,12)13/h3H,1-2H3,(H,15,16,17).
What are the key properties of 2,7-dimethyl-3-(trifluoromethyl)-5H-pyrido[2,3-b]pyrazine-6-thione?
2,7-dimethyl-3-(trifluoromethyl)-5H-pyrido[2,3-b]pyrazine-6-thione has a molecular weight of 259.26 g/mol, XLogP of 3.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-3-(trifluoromethyl)-5H-pyrido[2,3-b]pyrazine-6-thione is sourced from PubChem (CID 118004983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).