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

C12H11N5O2 — CID 135450617

IUPAC5-(3,4-dimethylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one
SMILESCc1ccc(Nc2nc3nonc3[nH]c2=O)cc1C
InChIInChI=1S/C12H11N5O2/c1-6-3-4-8(5-7(6)2)13-11-12(18)15-10-9(14-11)16-19-17-10/h3-5H,1-2H3,(H,13,14,16)(H,15,17,18)
InChIKeyURBNVHOHVMKOTR-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.67
Rot. Bonds2

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

5-(3,4-dimethylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one (PubChem CID 135450617) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-(3,4-dimethylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one.

Molecular Properties

Compound Name5-(3,4-dimethylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one
PubChem CID135450617
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name5-(3,4-dimethylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one
SMILESCc1ccc(Nc2nc3nonc3[nH]c2=O)cc1C
InChIInChI=1S/C12H11N5O2/c1-6-3-4-8(5-7(6)2)13-11-12(18)15-10-9(14-11)16-19-17-10/h3-5H,1-2H3,(H,13,14,16)(H,15,17,18)
InChIKeyURBNVHOHVMKOTR-UHFFFAOYSA-N
XLogP1.67
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one?
The IUPAC name of 5-(3,4-dimethylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one (CID 135450617) is 5-(3,4-dimethylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one.
What is the SMILES notation for 5-(3,4-dimethylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one?
The canonical SMILES for 5-(3,4-dimethylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one is Cc1ccc(Nc2nc3nonc3[nH]c2=O)cc1C.
What is the InChIKey of 5-(3,4-dimethylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one?
The InChIKey is URBNVHOHVMKOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-6-3-4-8(5-7(6)2)13-11-12(18)15-10-9(14-11)16-19-17-10/h3-5H,1-2H3,(H,13,14,16)(H,15,17,18).
What are the key properties of 5-(3,4-dimethylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one?
5-(3,4-dimethylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one has a molecular weight of 257.25 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one is sourced from PubChem (CID 135450617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).