1-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethylamino]pyrazin-2-one

C10H12F3N3OS — CID 103930963

IUPAC1-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethylamino]pyrazin-2-one
SMILESO=c1c(NCCSC(F)(F)F)nccn1C1CC1
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)18-6-4-15-8-9(17)16(5-3-14-8)7-1-2-7/h3,5,7H,1-2,4,6H2,(H,14,15)
InChIKeyRAMQEURQJGUGMO-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.24
Rot. Bonds5

About 1-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethylamino]pyrazin-2-one

1-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethylamino]pyrazin-2-one (PubChem CID 103930963) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethylamino]pyrazin-2-one
PubChem CID103930963
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC Name1-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethylamino]pyrazin-2-one
SMILESO=c1c(NCCSC(F)(F)F)nccn1C1CC1
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)18-6-4-15-8-9(17)16(5-3-14-8)7-1-2-7/h3,5,7H,1-2,4,6H2,(H,14,15)
InChIKeyRAMQEURQJGUGMO-UHFFFAOYSA-N
XLogP2.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.24
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 1-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethylamino]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethylamino]pyrazin-2-one (CID 103930963) is 1-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethylamino]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethylamino]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethylamino]pyrazin-2-one is O=c1c(NCCSC(F)(F)F)nccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethylamino]pyrazin-2-one?
The InChIKey is RAMQEURQJGUGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c11-10(12,13)18-6-4-15-8-9(17)16(5-3-14-8)7-1-2-7/h3,5,7H,1-2,4,6H2,(H,14,15).
What are the key properties of 1-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethylamino]pyrazin-2-one?
1-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethylamino]pyrazin-2-one has a molecular weight of 279.29 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethylamino]pyrazin-2-one is sourced from PubChem (CID 103930963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).