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

C20H20N6O — CID 1111822

IUPAC5-N,6-N-bis[(1R)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESC[C@@H](Nc1nc2nonc2nc1N[C@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20N6O/c1-13(15-9-5-3-6-10-15)21-17-18(24-20-19(23-17)25-27-26-20)22-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,21,23,25)(H,22,24,26)/t13-,14-/m1/s1
InChIKeyXXWLNPQINRPUAG-ZIAGYGMSSA-N
MW360.42 g/mol
LogP4.36
Rot. Bonds6

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

5-N,6-N-bis[(1R)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 1111822) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 5-N,6-N-bis[(1R)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N,6-N-bis[(1R)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID1111822
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name5-N,6-N-bis[(1R)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESC[C@@H](Nc1nc2nonc2nc1N[C@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20N6O/c1-13(15-9-5-3-6-10-15)21-17-18(24-20-19(23-17)25-27-26-20)22-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,21,23,25)(H,22,24,26)/t13-,14-/m1/s1
InChIKeyXXWLNPQINRPUAG-ZIAGYGMSSA-N
XLogP4.36
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 ≤ 54.36
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[(1R)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N,6-N-bis[(1R)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 1111822) is 5-N,6-N-bis[(1R)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N,6-N-bis[(1R)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N,6-N-bis[(1R)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is C[C@@H](Nc1nc2nonc2nc1N[C@H](C)c1ccccc1)c1ccccc1.
What is the InChIKey of 5-N,6-N-bis[(1R)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is XXWLNPQINRPUAG-ZIAGYGMSSA-N. The full InChI is InChI=1S/C20H20N6O/c1-13(15-9-5-3-6-10-15)21-17-18(24-20-19(23-17)25-27-26-20)22-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,21,23,25)(H,22,24,26)/t13-,14-/m1/s1.
What are the key properties of 5-N,6-N-bis[(1R)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N,6-N-bis[(1R)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 360.42 g/mol, XLogP of 4.36, 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[(1R)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 1111822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).