5-ethyl-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2,3-diamine

C12H12F3N5S — CID 175258310

IUPAC5-ethyl-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2,3-diamine
SMILESCCc1nc(N)c(N)nc1Sc1cccnc1C(F)(F)F
InChIInChI=1S/C12H12F3N5S/c1-2-6-11(20-10(17)9(16)19-6)21-7-4-3-5-18-8(7)12(13,14)15/h3-5H,2H2,1H3,(H2,16,19)(H2,17,20)
InChIKeyFCQUXVWNYFHODR-UHFFFAOYSA-N
MW315.32 g/mol
LogP2.77
Rot. Bonds3

About 5-ethyl-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2,3-diamine

5-ethyl-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2,3-diamine (PubChem CID 175258310) has the molecular formula C12H12F3N5S and a molecular weight of 315.32 g/mol. Its IUPAC name is 5-ethyl-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name5-ethyl-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2,3-diamine
PubChem CID175258310
Molecular FormulaC12H12F3N5S
Molecular Weight315.32 g/mol
Exact Mass315.08
IUPAC Name5-ethyl-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2,3-diamine
SMILESCCc1nc(N)c(N)nc1Sc1cccnc1C(F)(F)F
InChIInChI=1S/C12H12F3N5S/c1-2-6-11(20-10(17)9(16)19-6)21-7-4-3-5-18-8(7)12(13,14)15/h3-5H,2H2,1H3,(H2,16,19)(H2,17,20)
InChIKeyFCQUXVWNYFHODR-UHFFFAOYSA-N
XLogP2.77
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(Phenylsulfanyl)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 1473292
US10301278, Example 29
CID 118239475
(4S)-8-[6-amino-5-[2-(trifluoromethyl)pyridin-3-yl]sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 118247999
(4R)-8-[6-amino-5-[2-(trifluoromethyl)pyridin-3-yl]sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 118248000
US10301278, Example 30
CID 118248909
(6-Methyl-pyridin-2-yl)-(3-methylsulfanyl-pyridin-2-yl)-amine
CID 44404932
5-(6-Methylsulfonyl-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
CID 72711842
US10336774, Example 47
CID 118247722
US10336774, Example 85
CID 118247851
US10301278, Example 41
CID 118248918
US10301278, Example 46
CID 118249258
US10336774, Example 86a
CID 124195858

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2,3-diamine?
The IUPAC name of 5-ethyl-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2,3-diamine (CID 175258310) is 5-ethyl-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2,3-diamine.
What is the SMILES notation for 5-ethyl-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2,3-diamine?
The canonical SMILES for 5-ethyl-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2,3-diamine is CCc1nc(N)c(N)nc1Sc1cccnc1C(F)(F)F.
What is the InChIKey of 5-ethyl-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2,3-diamine?
The InChIKey is FCQUXVWNYFHODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5S/c1-2-6-11(20-10(17)9(16)19-6)21-7-4-3-5-18-8(7)12(13,14)15/h3-5H,2H2,1H3,(H2,16,19)(H2,17,20).
What are the key properties of 5-ethyl-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2,3-diamine?
5-ethyl-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2,3-diamine has a molecular weight of 315.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2,3-diamine is sourced from PubChem (CID 175258310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).