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

C18H14Cl2N6O — CID 2833227

IUPAC6-N-(2,3-dichlorophenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1cccc(Nc2nc3nonc3nc2Nc2cccc(Cl)c2Cl)c1C
InChIInChI=1S/C18H14Cl2N6O/c1-9-5-3-7-12(10(9)2)21-15-16(24-18-17(23-15)25-27-26-18)22-13-8-4-6-11(19)14(13)20/h3-8H,1-2H3,(H,21,23,25)(H,22,24,26)
InChIKeyYEBKTDXPHYORMI-UHFFFAOYSA-N
MW401.26 g/mol
LogP5.42
Rot. Bonds4

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

6-N-(2,3-dichlorophenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 2833227) has the molecular formula C18H14Cl2N6O and a molecular weight of 401.26 g/mol. Its IUPAC name is 6-N-(2,3-dichlorophenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-(2,3-dichlorophenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID2833227
Molecular FormulaC18H14Cl2N6O
Molecular Weight401.26 g/mol
Exact Mass400.06
IUPAC Name6-N-(2,3-dichlorophenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1cccc(Nc2nc3nonc3nc2Nc2cccc(Cl)c2Cl)c1C
InChIInChI=1S/C18H14Cl2N6O/c1-9-5-3-7-12(10(9)2)21-15-16(24-18-17(23-15)25-27-26-18)22-13-8-4-6-11(19)14(13)20/h3-8H,1-2H3,(H,21,23,25)(H,22,24,26)
InChIKeyYEBKTDXPHYORMI-UHFFFAOYSA-N
XLogP5.42
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.26
LogP ≤ 55.42
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-dichlorophenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-(2,3-dichlorophenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 2833227) is 6-N-(2,3-dichlorophenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 6-N-(2,3-dichlorophenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-(2,3-dichlorophenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Cc1cccc(Nc2nc3nonc3nc2Nc2cccc(Cl)c2Cl)c1C.
What is the InChIKey of 6-N-(2,3-dichlorophenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is YEBKTDXPHYORMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N6O/c1-9-5-3-7-12(10(9)2)21-15-16(24-18-17(23-15)25-27-26-18)22-13-8-4-6-11(19)14(13)20/h3-8H,1-2H3,(H,21,23,25)(H,22,24,26).
What are the key properties of 6-N-(2,3-dichlorophenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-(2,3-dichlorophenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 401.26 g/mol, XLogP of 5.42, 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-dichlorophenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 2833227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).