5-(4-methylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one

C11H9N5O2 — CID 135449554

IUPAC5-(4-methylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one
SMILESCc1ccc(Nc2nc3nonc3[nH]c2=O)cc1
InChIInChI=1S/C11H9N5O2/c1-6-2-4-7(5-3-6)12-10-11(17)14-9-8(13-10)15-18-16-9/h2-5H,1H3,(H,12,13,15)(H,14,16,17)
InChIKeyVXMOXVQUMJNJHF-UHFFFAOYSA-N
MW243.23 g/mol
LogP1.36
Rot. Bonds2

About 5-(4-methylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one

5-(4-methylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one (PubChem CID 135449554) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 5-(4-methylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one.

Molecular Properties

Compound Name5-(4-methylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one
PubChem CID135449554
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name5-(4-methylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one
SMILESCc1ccc(Nc2nc3nonc3[nH]c2=O)cc1
InChIInChI=1S/C11H9N5O2/c1-6-2-4-7(5-3-6)12-10-11(17)14-9-8(13-10)15-18-16-9/h2-5H,1H3,(H,12,13,15)(H,14,16,17)
InChIKeyVXMOXVQUMJNJHF-UHFFFAOYSA-N
XLogP1.36
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one?
The IUPAC name of 5-(4-methylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one (CID 135449554) is 5-(4-methylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one.
What is the SMILES notation for 5-(4-methylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one?
The canonical SMILES for 5-(4-methylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one is Cc1ccc(Nc2nc3nonc3[nH]c2=O)cc1.
What is the InChIKey of 5-(4-methylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one?
The InChIKey is VXMOXVQUMJNJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c1-6-2-4-7(5-3-6)12-10-11(17)14-9-8(13-10)15-18-16-9/h2-5H,1H3,(H,12,13,15)(H,14,16,17).
What are the key properties of 5-(4-methylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one?
5-(4-methylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one has a molecular weight of 243.23 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one is sourced from PubChem (CID 135449554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).