5-(2,3-difluoroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one

C10H5F2N5O2 — CID 146200600

IUPAC5-(2,3-difluoroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one
SMILESO=c1[nH]c2nonc2nc1Nc1cccc(F)c1F
InChIInChI=1S/C10H5F2N5O2/c11-4-2-1-3-5(6(4)12)13-9-10(18)15-8-7(14-9)16-19-17-8/h1-3H,(H,13,14,16)(H,15,17,18)
InChIKeyJRMLZZWSTKPJOM-UHFFFAOYSA-N
MW265.18 g/mol
LogP1.33
Rot. Bonds2

About 5-(2,3-difluoroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one

5-(2,3-difluoroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one (PubChem CID 146200600) has the molecular formula C10H5F2N5O2 and a molecular weight of 265.18 g/mol. Its IUPAC name is 5-(2,3-difluoroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one.

Molecular Properties

Compound Name5-(2,3-difluoroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one
PubChem CID146200600
Molecular FormulaC10H5F2N5O2
Molecular Weight265.18 g/mol
Exact Mass265.04
IUPAC Name5-(2,3-difluoroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one
SMILESO=c1[nH]c2nonc2nc1Nc1cccc(F)c1F
InChIInChI=1S/C10H5F2N5O2/c11-4-2-1-3-5(6(4)12)13-9-10(18)15-8-7(14-9)16-19-17-8/h1-3H,(H,13,14,16)(H,15,17,18)
InChIKeyJRMLZZWSTKPJOM-UHFFFAOYSA-N
XLogP1.33
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluoroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one?
The IUPAC name of 5-(2,3-difluoroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one (CID 146200600) is 5-(2,3-difluoroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one.
What is the SMILES notation for 5-(2,3-difluoroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one?
The canonical SMILES for 5-(2,3-difluoroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one is O=c1[nH]c2nonc2nc1Nc1cccc(F)c1F.
What is the InChIKey of 5-(2,3-difluoroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one?
The InChIKey is JRMLZZWSTKPJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2N5O2/c11-4-2-1-3-5(6(4)12)13-9-10(18)15-8-7(14-9)16-19-17-8/h1-3H,(H,13,14,16)(H,15,17,18).
What are the key properties of 5-(2,3-difluoroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one?
5-(2,3-difluoroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one has a molecular weight of 265.18 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluoroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one is sourced from PubChem (CID 146200600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).