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

C20H20N6O — CID 155560200

IUPAC5-N,6-N-bis(4-ethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCCc1ccc(Nc2nc3nonc3nc2Nc2ccc(CC)cc2)cc1
InChIInChI=1S/C20H20N6O/c1-3-13-5-9-15(10-6-13)21-17-18(24-20-19(23-17)25-27-26-20)22-16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3,(H,21,23,25)(H,22,24,26)
InChIKeyJGWBYEPIZNFVSA-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.62
Rot. Bonds6

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

5-N,6-N-bis(4-ethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 155560200) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 5-N,6-N-bis(4-ethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N,6-N-bis(4-ethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID155560200
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name5-N,6-N-bis(4-ethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCCc1ccc(Nc2nc3nonc3nc2Nc2ccc(CC)cc2)cc1
InChIInChI=1S/C20H20N6O/c1-3-13-5-9-15(10-6-13)21-17-18(24-20-19(23-17)25-27-26-20)22-16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3,(H,21,23,25)(H,22,24,26)
InChIKeyJGWBYEPIZNFVSA-UHFFFAOYSA-N
XLogP4.62
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N,6-N-bis(4-ethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N,6-N-bis(4-ethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 155560200) is 5-N,6-N-bis(4-ethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N,6-N-bis(4-ethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N,6-N-bis(4-ethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is CCc1ccc(Nc2nc3nonc3nc2Nc2ccc(CC)cc2)cc1.
What is the InChIKey of 5-N,6-N-bis(4-ethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is JGWBYEPIZNFVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-3-13-5-9-15(10-6-13)21-17-18(24-20-19(23-17)25-27-26-20)22-16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3,(H,21,23,25)(H,22,24,26).
What are the key properties of 5-N,6-N-bis(4-ethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N,6-N-bis(4-ethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 360.42 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,6-N-bis(4-ethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 155560200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).