6-(4-methoxyphenyl)-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one

C11H8N4O3 — CID 135636770

IUPAC6-(4-methoxyphenyl)-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one
SMILESCOc1ccc(-c2nc3nonc3[nH]c2=O)cc1
InChIInChI=1S/C11H8N4O3/c1-17-7-4-2-6(3-5-7)8-11(16)13-10-9(12-8)14-18-15-10/h2-5H,1H3,(H,13,15,16)
InChIKeyRCSFJBOXDLLPIB-UHFFFAOYSA-N
MW244.21 g/mol
LogP0.98
Rot. Bonds2

About 6-(4-methoxyphenyl)-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one

6-(4-methoxyphenyl)-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one (PubChem CID 135636770) has the molecular formula C11H8N4O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one
PubChem CID135636770
Molecular FormulaC11H8N4O3
Molecular Weight244.21 g/mol
Exact Mass244.06
IUPAC Name6-(4-methoxyphenyl)-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one
SMILESCOc1ccc(-c2nc3nonc3[nH]c2=O)cc1
InChIInChI=1S/C11H8N4O3/c1-17-7-4-2-6(3-5-7)8-11(16)13-10-9(12-8)14-18-15-10/h2-5H,1H3,(H,13,15,16)
InChIKeyRCSFJBOXDLLPIB-UHFFFAOYSA-N
XLogP0.98
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one?
The IUPAC name of 6-(4-methoxyphenyl)-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one (CID 135636770) is 6-(4-methoxyphenyl)-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one?
The canonical SMILES for 6-(4-methoxyphenyl)-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one is COc1ccc(-c2nc3nonc3[nH]c2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one?
The InChIKey is RCSFJBOXDLLPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O3/c1-17-7-4-2-6(3-5-7)8-11(16)13-10-9(12-8)14-18-15-10/h2-5H,1H3,(H,13,15,16).
What are the key properties of 6-(4-methoxyphenyl)-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one?
6-(4-methoxyphenyl)-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one has a molecular weight of 244.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one is sourced from PubChem (CID 135636770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).