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

C12H12N6O — CID 1414761

IUPAC5-N-[(1S)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESC[C@H](Nc1nc2nonc2nc1N)c1ccccc1
InChIInChI=1S/C12H12N6O/c1-7(8-5-3-2-4-6-8)14-10-9(13)15-11-12(16-10)18-19-17-11/h2-7H,1H3,(H2,13,15,17)(H,14,16,18)/t7-/m0/s1
InChIKeyABKOJRHKDBZRII-ZETCQYMHSA-N
MW256.27 g/mol
LogP1.77
Rot. Bonds3

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

5-N-[(1S)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 1414761) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 5-N-[(1S)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N-[(1S)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID1414761
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name5-N-[(1S)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESC[C@H](Nc1nc2nonc2nc1N)c1ccccc1
InChIInChI=1S/C12H12N6O/c1-7(8-5-3-2-4-6-8)14-10-9(13)15-11-12(16-10)18-19-17-11/h2-7H,1H3,(H2,13,15,17)(H,14,16,18)/t7-/m0/s1
InChIKeyABKOJRHKDBZRII-ZETCQYMHSA-N
XLogP1.77
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(1S)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N-[(1S)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 1414761) is 5-N-[(1S)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N-[(1S)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N-[(1S)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is C[C@H](Nc1nc2nonc2nc1N)c1ccccc1.
What is the InChIKey of 5-N-[(1S)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is ABKOJRHKDBZRII-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H12N6O/c1-7(8-5-3-2-4-6-8)14-10-9(13)15-11-12(16-10)18-19-17-11/h2-7H,1H3,(H2,13,15,17)(H,14,16,18)/t7-/m0/s1.
What are the key properties of 5-N-[(1S)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N-[(1S)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 256.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(1S)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 1414761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).