5-[4-(pentafluoro-λ6-sulfanyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one

C10H6F5N5O2S — CID 146200605

IUPAC5-[4-(pentafluoro-λ6-sulfanyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one
SMILESO=c1[nH]c2nonc2nc1Nc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C10H6F5N5O2S/c11-23(12,13,14,15)6-3-1-5(2-4-6)16-9-10(21)18-8-7(17-9)19-22-20-8/h1-4H,(H,16,17,19)(H,18,20,21)
InChIKeyQPMHZNYDWWWMSA-UHFFFAOYSA-N
MW355.25 g/mol
LogP3.71
Rot. Bonds3

About 5-[4-(pentafluoro-λ6-sulfanyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one

5-[4-(pentafluoro-λ6-sulfanyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one (PubChem CID 146200605) has the molecular formula C10H6F5N5O2S and a molecular weight of 355.25 g/mol. Its IUPAC name is 5-[4-(pentafluoro-λ6-sulfanyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one.

Molecular Properties

Compound Name5-[4-(pentafluoro-λ6-sulfanyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one
PubChem CID146200605
Molecular FormulaC10H6F5N5O2S
Molecular Weight355.25 g/mol
Exact Mass355.02
IUPAC Name5-[4-(pentafluoro-λ6-sulfanyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one
SMILESO=c1[nH]c2nonc2nc1Nc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C10H6F5N5O2S/c11-23(12,13,14,15)6-3-1-5(2-4-6)16-9-10(21)18-8-7(17-9)19-22-20-8/h1-4H,(H,16,17,19)(H,18,20,21)
InChIKeyQPMHZNYDWWWMSA-UHFFFAOYSA-N
XLogP3.71
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(pentafluoro-λ6-sulfanyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one?
The IUPAC name of 5-[4-(pentafluoro-λ6-sulfanyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one (CID 146200605) is 5-[4-(pentafluoro-λ6-sulfanyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one.
What is the SMILES notation for 5-[4-(pentafluoro-λ6-sulfanyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one?
The canonical SMILES for 5-[4-(pentafluoro-λ6-sulfanyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one is O=c1[nH]c2nonc2nc1Nc1ccc(S(F)(F)(F)(F)F)cc1.
What is the InChIKey of 5-[4-(pentafluoro-λ6-sulfanyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one?
The InChIKey is QPMHZNYDWWWMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F5N5O2S/c11-23(12,13,14,15)6-3-1-5(2-4-6)16-9-10(21)18-8-7(17-9)19-22-20-8/h1-4H,(H,16,17,19)(H,18,20,21).
What are the key properties of 5-[4-(pentafluoro-λ6-sulfanyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one?
5-[4-(pentafluoro-λ6-sulfanyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one has a molecular weight of 355.25 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(pentafluoro-λ6-sulfanyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one is sourced from PubChem (CID 146200605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).