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

C20H20N6O — CID 3560311

IUPAC6-N-(3,4-dimethylphenyl)-5-N-(1-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1ccc(Nc2nc3nonc3nc2NC(C)c2ccccc2)cc1C
InChIInChI=1S/C20H20N6O/c1-12-9-10-16(11-13(12)2)22-18-17(23-19-20(24-18)26-27-25-19)21-14(3)15-7-5-4-6-8-15/h4-11,14H,1-3H3,(H,21,23,25)(H,22,24,26)
InChIKeyQFAUZIRDSKDMEI-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.55
Rot. Bonds5

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

6-N-(3,4-dimethylphenyl)-5-N-(1-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 3560311) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 6-N-(3,4-dimethylphenyl)-5-N-(1-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-(3,4-dimethylphenyl)-5-N-(1-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID3560311
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name6-N-(3,4-dimethylphenyl)-5-N-(1-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1ccc(Nc2nc3nonc3nc2NC(C)c2ccccc2)cc1C
InChIInChI=1S/C20H20N6O/c1-12-9-10-16(11-13(12)2)22-18-17(23-19-20(24-18)26-27-25-19)21-14(3)15-7-5-4-6-8-15/h4-11,14H,1-3H3,(H,21,23,25)(H,22,24,26)
InChIKeyQFAUZIRDSKDMEI-UHFFFAOYSA-N
XLogP4.55
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-(3,4-dimethylphenyl)-5-N-(1-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-(3,4-dimethylphenyl)-5-N-(1-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 3560311) is 6-N-(3,4-dimethylphenyl)-5-N-(1-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 6-N-(3,4-dimethylphenyl)-5-N-(1-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-(3,4-dimethylphenyl)-5-N-(1-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Cc1ccc(Nc2nc3nonc3nc2NC(C)c2ccccc2)cc1C.
What is the InChIKey of 6-N-(3,4-dimethylphenyl)-5-N-(1-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is QFAUZIRDSKDMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-12-9-10-16(11-13(12)2)22-18-17(23-19-20(24-18)26-27-25-19)21-14(3)15-7-5-4-6-8-15/h4-11,14H,1-3H3,(H,21,23,25)(H,22,24,26).
What are the key properties of 6-N-(3,4-dimethylphenyl)-5-N-(1-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-(3,4-dimethylphenyl)-5-N-(1-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 360.42 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,4-dimethylphenyl)-5-N-(1-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 3560311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).