5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine

C10H7F3N4S — CID 150353783

IUPAC5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
SMILESNc1cnc(Sc2cccnc2C(F)(F)F)cn1
InChIInChI=1S/C10H7F3N4S/c11-10(12,13)9-6(2-1-3-15-9)18-8-5-16-7(14)4-17-8/h1-5H,(H2,14,16)
InChIKeyGUHGETBHUNAIAS-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.62
Rot. Bonds2

About 5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine

5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (PubChem CID 150353783) has the molecular formula C10H7F3N4S and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
PubChem CID150353783
Molecular FormulaC10H7F3N4S
Molecular Weight272.26 g/mol
Exact Mass272.03
IUPAC Name5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
SMILESNc1cnc(Sc2cccnc2C(F)(F)F)cn1
InChIInChI=1S/C10H7F3N4S/c11-10(12,13)9-6(2-1-3-15-9)18-8-5-16-7(14)4-17-8/h1-5H,(H2,14,16)
InChIKeyGUHGETBHUNAIAS-UHFFFAOYSA-N
XLogP2.62
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The IUPAC name of 5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (CID 150353783) is 5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine.
What is the SMILES notation for 5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The canonical SMILES for 5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine is Nc1cnc(Sc2cccnc2C(F)(F)F)cn1.
What is the InChIKey of 5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The InChIKey is GUHGETBHUNAIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4S/c11-10(12,13)9-6(2-1-3-15-9)18-8-5-16-7(14)4-17-8/h1-5H,(H2,14,16).
What are the key properties of 5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine has a molecular weight of 272.26 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine is sourced from PubChem (CID 150353783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).