5,7,8-trifluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazine

C9H10F3N3 — CID 11593741

IUPAC5,7,8-trifluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazine
SMILESCN1CCN(C)c2c(F)c(F)nc(F)c21
InChIInChI=1S/C9H10F3N3/c1-14-3-4-15(2)7-6(14)5(10)8(11)13-9(7)12/h3-4H2,1-2H3
InChIKeyHAJMFLFLPRSEKK-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.38
Rot. Bonds

About 5,7,8-trifluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazine

5,7,8-trifluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazine (PubChem CID 11593741) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 5,7,8-trifluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name5,7,8-trifluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazine
PubChem CID11593741
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name5,7,8-trifluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazine
SMILESCN1CCN(C)c2c(F)c(F)nc(F)c21
InChIInChI=1S/C9H10F3N3/c1-14-3-4-15(2)7-6(14)5(10)8(11)13-9(7)12/h3-4H2,1-2H3
InChIKeyHAJMFLFLPRSEKK-UHFFFAOYSA-N
XLogP1.38
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7,8-trifluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazine?
The IUPAC name of 5,7,8-trifluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazine (CID 11593741) is 5,7,8-trifluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazine.
What is the SMILES notation for 5,7,8-trifluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazine?
The canonical SMILES for 5,7,8-trifluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazine is CN1CCN(C)c2c(F)c(F)nc(F)c21.
What is the InChIKey of 5,7,8-trifluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazine?
The InChIKey is HAJMFLFLPRSEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c1-14-3-4-15(2)7-6(14)5(10)8(11)13-9(7)12/h3-4H2,1-2H3.
What are the key properties of 5,7,8-trifluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazine?
5,7,8-trifluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazine has a molecular weight of 217.19 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,8-trifluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazine is sourced from PubChem (CID 11593741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).