5-(6-methoxynaphthalen-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine

C15H10N4O2 — CID 51138551

IUPAC5-(6-methoxynaphthalen-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine
SMILESCOc1ccc2cc(-c3cnc4nonc4n3)ccc2c1
InChIInChI=1S/C15H10N4O2/c1-20-12-5-4-9-6-11(3-2-10(9)7-12)13-8-16-14-15(17-13)19-21-18-14/h2-8H,1H3
InChIKeyIZECIRGLRZIXBY-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.84
Rot. Bonds2

About 5-(6-methoxynaphthalen-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine

5-(6-methoxynaphthalen-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine (PubChem CID 51138551) has the molecular formula C15H10N4O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 5-(6-methoxynaphthalen-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name5-(6-methoxynaphthalen-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine
PubChem CID51138551
Molecular FormulaC15H10N4O2
Molecular Weight278.27 g/mol
Exact Mass278.08
IUPAC Name5-(6-methoxynaphthalen-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine
SMILESCOc1ccc2cc(-c3cnc4nonc4n3)ccc2c1
InChIInChI=1S/C15H10N4O2/c1-20-12-5-4-9-6-11(3-2-10(9)7-12)13-8-16-14-15(17-13)19-21-18-14/h2-8H,1H3
InChIKeyIZECIRGLRZIXBY-UHFFFAOYSA-N
XLogP2.84
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxynaphthalen-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The IUPAC name of 5-(6-methoxynaphthalen-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine (CID 51138551) is 5-(6-methoxynaphthalen-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine.
What is the SMILES notation for 5-(6-methoxynaphthalen-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The canonical SMILES for 5-(6-methoxynaphthalen-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine is COc1ccc2cc(-c3cnc4nonc4n3)ccc2c1.
What is the InChIKey of 5-(6-methoxynaphthalen-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The InChIKey is IZECIRGLRZIXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2/c1-20-12-5-4-9-6-11(3-2-10(9)7-12)13-8-16-14-15(17-13)19-21-18-14/h2-8H,1H3.
What are the key properties of 5-(6-methoxynaphthalen-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine?
5-(6-methoxynaphthalen-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine has a molecular weight of 278.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxynaphthalen-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine is sourced from PubChem (CID 51138551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).