2-[2-(2,2,2-Trifluoroethyl)guanidino]-6-(3-aminopropylthio)pyrazine

HCID 21298819

Notes Reactions

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Basic information

Standard SMILES: NCCCSc1cncc(NC(N)=NCC(F)(F)F)n1
InChIKey: VDZKMHRFRQDAKX-UHFFFAOYSA-N
Molecular formula: C10H15F3N6S
Average molar mass: 308.33 g/mol

Names & identifiers

Preferred name: 2-[2-(2,2,2-Trifluoroethyl)guanidino]-6-(3-aminopropylthio)pyrazine
IUPAC: 1-[6-(3-aminopropylsulfanyl)pyrazin-2-yl]-2-(2,2,2-trifluoroethyl)guanidine

Names & synonyms

2-[2-(2,2,2-trifluoroethyl)guanidino]-6-(3-aminopropylthio)pyrazineSCHEMBL10677926SCHEMBL106779342-[2-(2,2,2-trifluoroethyl)-guanidino]-6-(3-aminopropylthio)pyrazine

Database identifiers

PubChem CID: 21298819

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 128 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 20
Formal charge: 0
Complexity: 312

Related reactions

8 records

New reaction record

HRID 34822As reactantuspto-grants-1988_08

HRID 34823As productuspto-grants-1988_08

HRID 143987As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 364324As reactantuspto-grants-1986_08

HRID 364325As productuspto-grants-1986_08

HRID 662204As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1902326As reactantuspto-grants-1982_12

HRID 1902327As productuspto-grants-1982_12

Compound notes

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