6-N-(2,3-dimethylphenyl)-5-N-(2,5-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C20H20N6O — CID 1079453

IUPAC6-N-(2,3-dimethylphenyl)-5-N-(2,5-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1ccc(C)c(Nc2nc3nonc3nc2Nc2cccc(C)c2C)c1
InChIInChI=1S/C20H20N6O/c1-11-8-9-13(3)16(10-11)22-18-17(23-19-20(24-18)26-27-25-19)21-15-7-5-6-12(2)14(15)4/h5-10H,1-4H3,(H,21,23,25)(H,22,24,26)
InChIKeyADSUIKWZHHALJL-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.73
Rot. Bonds4

About 6-N-(2,3-dimethylphenyl)-5-N-(2,5-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

6-N-(2,3-dimethylphenyl)-5-N-(2,5-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 1079453) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 6-N-(2,3-dimethylphenyl)-5-N-(2,5-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-(2,3-dimethylphenyl)-5-N-(2,5-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID1079453
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name6-N-(2,3-dimethylphenyl)-5-N-(2,5-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1ccc(C)c(Nc2nc3nonc3nc2Nc2cccc(C)c2C)c1
InChIInChI=1S/C20H20N6O/c1-11-8-9-13(3)16(10-11)22-18-17(23-19-20(24-18)26-27-25-19)21-15-7-5-6-12(2)14(15)4/h5-10H,1-4H3,(H,21,23,25)(H,22,24,26)
InChIKeyADSUIKWZHHALJL-UHFFFAOYSA-N
XLogP4.73
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2,3-dimethylphenyl)-5-N-(2,5-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-(2,3-dimethylphenyl)-5-N-(2,5-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 1079453) is 6-N-(2,3-dimethylphenyl)-5-N-(2,5-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 6-N-(2,3-dimethylphenyl)-5-N-(2,5-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-(2,3-dimethylphenyl)-5-N-(2,5-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Cc1ccc(C)c(Nc2nc3nonc3nc2Nc2cccc(C)c2C)c1.
What is the InChIKey of 6-N-(2,3-dimethylphenyl)-5-N-(2,5-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is ADSUIKWZHHALJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-11-8-9-13(3)16(10-11)22-18-17(23-19-20(24-18)26-27-25-19)21-15-7-5-6-12(2)14(15)4/h5-10H,1-4H3,(H,21,23,25)(H,22,24,26).
What are the key properties of 6-N-(2,3-dimethylphenyl)-5-N-(2,5-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-(2,3-dimethylphenyl)-5-N-(2,5-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 360.42 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,3-dimethylphenyl)-5-N-(2,5-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 1079453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).