N-[2-(trifluoromethylsulfanyl)ethyl]pyrido[2,3-b]pyrazin-6-amine

C10H9F3N4S — CID 113234560

IUPACN-[2-(trifluoromethylsulfanyl)ethyl]pyrido[2,3-b]pyrazin-6-amine
SMILESFC(F)(F)SCCNc1ccc2nccnc2n1
InChIInChI=1S/C10H9F3N4S/c11-10(12,13)18-6-5-15-8-2-1-7-9(17-8)16-4-3-14-7/h1-4H,5-6H2,(H,15,16,17)
InChIKeyJZXZXYSYYVUCBZ-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.69
Rot. Bonds4

About N-[2-(trifluoromethylsulfanyl)ethyl]pyrido[2,3-b]pyrazin-6-amine

N-[2-(trifluoromethylsulfanyl)ethyl]pyrido[2,3-b]pyrazin-6-amine (PubChem CID 113234560) has the molecular formula C10H9F3N4S and a molecular weight of 274.27 g/mol. Its IUPAC name is N-[2-(trifluoromethylsulfanyl)ethyl]pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethylsulfanyl)ethyl]pyrido[2,3-b]pyrazin-6-amine
PubChem CID113234560
Molecular FormulaC10H9F3N4S
Molecular Weight274.27 g/mol
Exact Mass274.05
IUPAC NameN-[2-(trifluoromethylsulfanyl)ethyl]pyrido[2,3-b]pyrazin-6-amine
SMILESFC(F)(F)SCCNc1ccc2nccnc2n1
InChIInChI=1S/C10H9F3N4S/c11-10(12,13)18-6-5-15-8-2-1-7-9(17-8)16-4-3-14-7/h1-4H,5-6H2,(H,15,16,17)
InChIKeyJZXZXYSYYVUCBZ-UHFFFAOYSA-N
XLogP2.69
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]pyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]pyrido[2,3-b]pyrazin-6-amine (CID 113234560) is N-[2-(trifluoromethylsulfanyl)ethyl]pyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-[2-(trifluoromethylsulfanyl)ethyl]pyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-[2-(trifluoromethylsulfanyl)ethyl]pyrido[2,3-b]pyrazin-6-amine is FC(F)(F)SCCNc1ccc2nccnc2n1.
What is the InChIKey of N-[2-(trifluoromethylsulfanyl)ethyl]pyrido[2,3-b]pyrazin-6-amine?
The InChIKey is JZXZXYSYYVUCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4S/c11-10(12,13)18-6-5-15-8-2-1-7-9(17-8)16-4-3-14-7/h1-4H,5-6H2,(H,15,16,17).
What are the key properties of N-[2-(trifluoromethylsulfanyl)ethyl]pyrido[2,3-b]pyrazin-6-amine?
N-[2-(trifluoromethylsulfanyl)ethyl]pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 274.27 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethylsulfanyl)ethyl]pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 113234560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).