6-N-phenyl-5-N-propan-2-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C13H14N6O — CID 945568

IUPAC6-N-phenyl-5-N-propan-2-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCC(C)Nc1nc2nonc2nc1Nc1ccccc1
InChIInChI=1S/C13H14N6O/c1-8(2)14-10-11(15-9-6-4-3-5-7-9)17-13-12(16-10)18-20-19-13/h3-8H,1-2H3,(H,14,16,18)(H,15,17,19)
InChIKeyLZLPIDIYXMHINH-UHFFFAOYSA-N
MW270.30 g/mol
LogP2.58
Rot. Bonds4

About 6-N-phenyl-5-N-propan-2-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

6-N-phenyl-5-N-propan-2-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 945568) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 6-N-phenyl-5-N-propan-2-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-phenyl-5-N-propan-2-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID945568
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name6-N-phenyl-5-N-propan-2-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCC(C)Nc1nc2nonc2nc1Nc1ccccc1
InChIInChI=1S/C13H14N6O/c1-8(2)14-10-11(15-9-6-4-3-5-7-9)17-13-12(16-10)18-20-19-13/h3-8H,1-2H3,(H,14,16,18)(H,15,17,19)
InChIKeyLZLPIDIYXMHINH-UHFFFAOYSA-N
XLogP2.58
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-phenyl-5-N-propan-2-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-phenyl-5-N-propan-2-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 945568) is 6-N-phenyl-5-N-propan-2-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 6-N-phenyl-5-N-propan-2-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-phenyl-5-N-propan-2-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is CC(C)Nc1nc2nonc2nc1Nc1ccccc1.
What is the InChIKey of 6-N-phenyl-5-N-propan-2-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is LZLPIDIYXMHINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-8(2)14-10-11(15-9-6-4-3-5-7-9)17-13-12(16-10)18-20-19-13/h3-8H,1-2H3,(H,14,16,18)(H,15,17,19).
What are the key properties of 6-N-phenyl-5-N-propan-2-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-phenyl-5-N-propan-2-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 270.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-phenyl-5-N-propan-2-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 945568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).