3-(3-hydroxyanilino)-1-methylpyrazin-2-one

C11H11N3O2 — CID 141160847

IUPAC3-(3-hydroxyanilino)-1-methylpyrazin-2-one
SMILESCn1ccnc(Nc2cccc(O)c2)c1=O
InChIInChI=1S/C11H11N3O2/c1-14-6-5-12-10(11(14)16)13-8-3-2-4-9(15)7-8/h2-7,15H,1H3,(H,12,13)
InChIKeyORKVFBLPTDBQGI-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.23
Rot. Bonds2

About 3-(3-hydroxyanilino)-1-methylpyrazin-2-one

3-(3-hydroxyanilino)-1-methylpyrazin-2-one (PubChem CID 141160847) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-(3-hydroxyanilino)-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-(3-hydroxyanilino)-1-methylpyrazin-2-one
PubChem CID141160847
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-(3-hydroxyanilino)-1-methylpyrazin-2-one
SMILESCn1ccnc(Nc2cccc(O)c2)c1=O
InChIInChI=1S/C11H11N3O2/c1-14-6-5-12-10(11(14)16)13-8-3-2-4-9(15)7-8/h2-7,15H,1H3,(H,12,13)
InChIKeyORKVFBLPTDBQGI-UHFFFAOYSA-N
XLogP1.23
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyanilino)-1-methylpyrazin-2-one?
The IUPAC name of 3-(3-hydroxyanilino)-1-methylpyrazin-2-one (CID 141160847) is 3-(3-hydroxyanilino)-1-methylpyrazin-2-one.
What is the SMILES notation for 3-(3-hydroxyanilino)-1-methylpyrazin-2-one?
The canonical SMILES for 3-(3-hydroxyanilino)-1-methylpyrazin-2-one is Cn1ccnc(Nc2cccc(O)c2)c1=O.
What is the InChIKey of 3-(3-hydroxyanilino)-1-methylpyrazin-2-one?
The InChIKey is ORKVFBLPTDBQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-14-6-5-12-10(11(14)16)13-8-3-2-4-9(15)7-8/h2-7,15H,1H3,(H,12,13).
What are the key properties of 3-(3-hydroxyanilino)-1-methylpyrazin-2-one?
3-(3-hydroxyanilino)-1-methylpyrazin-2-one has a molecular weight of 217.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyanilino)-1-methylpyrazin-2-one is sourced from PubChem (CID 141160847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).