3-(2-amino-4-methylphenoxy)-1-methylpyrazin-2-one

C12H13N3O2 — CID 55130983

IUPAC3-(2-amino-4-methylphenoxy)-1-methylpyrazin-2-one
SMILESCc1ccc(Oc2nccn(C)c2=O)c(N)c1
InChIInChI=1S/C12H13N3O2/c1-8-3-4-10(9(13)7-8)17-11-12(16)15(2)6-5-14-11/h3-7H,13H2,1-2H3
InChIKeyWMLOXNYYKFPOJZ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.46
Rot. Bonds2

About 3-(2-amino-4-methylphenoxy)-1-methylpyrazin-2-one

3-(2-amino-4-methylphenoxy)-1-methylpyrazin-2-one (PubChem CID 55130983) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-(2-amino-4-methylphenoxy)-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-(2-amino-4-methylphenoxy)-1-methylpyrazin-2-one
PubChem CID55130983
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name3-(2-amino-4-methylphenoxy)-1-methylpyrazin-2-one
SMILESCc1ccc(Oc2nccn(C)c2=O)c(N)c1
InChIInChI=1S/C12H13N3O2/c1-8-3-4-10(9(13)7-8)17-11-12(16)15(2)6-5-14-11/h3-7H,13H2,1-2H3
InChIKeyWMLOXNYYKFPOJZ-UHFFFAOYSA-N
XLogP1.46
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-amino-2-chlorophenoxy)-1-methylpyrazin-2-one
CID 62939580
3-(2-amino-6-fluorophenoxy)-1-methylpyrazin-2-one
CID 104832107
3-[4-(aminomethyl)-2-chlorophenoxy]-1-methylpyrazin-2-one
CID 55155057
3-(2-iodophenoxy)-1-methylpyrazin-2-one
CID 62939733
3-(2-amino-4-methylphenoxy)pyrazine-2-carbonitrile
CID 62673774
5-chloro-2-(4-methyl-3-oxopyrazin-2-yl)oxybenzoic acid
CID 62940447
3-amino-5-iodo-4-(4-methyl-3-oxopyrazin-2-yl)oxybenzonitrile
CID 62940265
3-[2-(aminomethyl)-3-chlorophenoxy]-1-methylpyrazin-2-one
CID 114323844
3-[4-(2-aminoethyl)phenoxy]-1-methylpyrazin-2-one
CID 62938540
5-methyl-2-pyrazin-2-yloxyaniline
CID 61311465
4-methyl-2-[(1-methylimidazol-2-yl)methoxy]aniline
CID 39201519
2-(6-methoxyisoquinolin-1-yl)oxy-5-methylaniline
CID 106540123

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-methylphenoxy)-1-methylpyrazin-2-one?
The IUPAC name of 3-(2-amino-4-methylphenoxy)-1-methylpyrazin-2-one (CID 55130983) is 3-(2-amino-4-methylphenoxy)-1-methylpyrazin-2-one.
What is the SMILES notation for 3-(2-amino-4-methylphenoxy)-1-methylpyrazin-2-one?
The canonical SMILES for 3-(2-amino-4-methylphenoxy)-1-methylpyrazin-2-one is Cc1ccc(Oc2nccn(C)c2=O)c(N)c1.
What is the InChIKey of 3-(2-amino-4-methylphenoxy)-1-methylpyrazin-2-one?
The InChIKey is WMLOXNYYKFPOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-3-4-10(9(13)7-8)17-11-12(16)15(2)6-5-14-11/h3-7H,13H2,1-2H3.
What are the key properties of 3-(2-amino-4-methylphenoxy)-1-methylpyrazin-2-one?
3-(2-amino-4-methylphenoxy)-1-methylpyrazin-2-one has a molecular weight of 231.25 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-methylphenoxy)-1-methylpyrazin-2-one is sourced from PubChem (CID 55130983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).