3-(4-amino-2,5-dimethylphenoxy)-1H-pyrazin-2-one

C12H13N3O2 — CID 114570862

IUPAC3-(4-amino-2,5-dimethylphenoxy)-1H-pyrazin-2-one
SMILESCc1cc(Oc2ncc[nH]c2=O)c(C)cc1N
InChIInChI=1S/C12H13N3O2/c1-7-6-10(8(2)5-9(7)13)17-12-11(16)14-3-4-15-12/h3-6H,13H2,1-2H3,(H,14,16)
InChIKeyLVPPPAPVNXJHFD-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.76
Rot. Bonds2

About 3-(4-amino-2,5-dimethylphenoxy)-1H-pyrazin-2-one

3-(4-amino-2,5-dimethylphenoxy)-1H-pyrazin-2-one (PubChem CID 114570862) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-(4-amino-2,5-dimethylphenoxy)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(4-amino-2,5-dimethylphenoxy)-1H-pyrazin-2-one
PubChem CID114570862
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name3-(4-amino-2,5-dimethylphenoxy)-1H-pyrazin-2-one
SMILESCc1cc(Oc2ncc[nH]c2=O)c(C)cc1N
InChIInChI=1S/C12H13N3O2/c1-7-6-10(8(2)5-9(7)13)17-12-11(16)14-3-4-15-12/h3-6H,13H2,1-2H3,(H,14,16)
InChIKeyLVPPPAPVNXJHFD-UHFFFAOYSA-N
XLogP1.76
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromo-2-methylphenoxy)-1H-pyrazin-2-one
CID 114570737
3-(4-fluoro-2-methylphenoxy)-1H-pyrazin-2-one
CID 103241890
3-methyl-4-[(2-oxo-1H-pyrazin-3-yl)oxy]benzoic acid
CID 107672841
3-(5-amino-2-methoxyphenoxy)-1H-pyrazin-2-one
CID 114570848
3-(2-fluoro-5-methylphenoxy)-1H-pyrazin-2-one
CID 103241750
3-(4-amino-3-fluorophenoxy)-1H-pyrazin-2-one
CID 114570857
3-(2-bromo-4-fluorophenoxy)-1H-pyrazin-2-one
CID 114570730
3-(4-fluorophenoxy)-1H-pyrazin-2-one
CID 103241140
3-(4-ethoxyphenoxy)-1H-pyrazin-2-one
CID 103240950
3-[3-(dimethylamino)phenoxy]-1H-pyrazin-2-one
CID 103241451
3-(4-amino-2-fluoro-5-methylphenoxy)-1-cyclopropylpyrazin-2-one
CID 114417463
3-methyl-1H-pyrazin-2-one;hydrochloride
CID 70076933

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2,5-dimethylphenoxy)-1H-pyrazin-2-one?
The IUPAC name of 3-(4-amino-2,5-dimethylphenoxy)-1H-pyrazin-2-one (CID 114570862) is 3-(4-amino-2,5-dimethylphenoxy)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(4-amino-2,5-dimethylphenoxy)-1H-pyrazin-2-one?
The canonical SMILES for 3-(4-amino-2,5-dimethylphenoxy)-1H-pyrazin-2-one is Cc1cc(Oc2ncc[nH]c2=O)c(C)cc1N.
What is the InChIKey of 3-(4-amino-2,5-dimethylphenoxy)-1H-pyrazin-2-one?
The InChIKey is LVPPPAPVNXJHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-7-6-10(8(2)5-9(7)13)17-12-11(16)14-3-4-15-12/h3-6H,13H2,1-2H3,(H,14,16).
What are the key properties of 3-(4-amino-2,5-dimethylphenoxy)-1H-pyrazin-2-one?
3-(4-amino-2,5-dimethylphenoxy)-1H-pyrazin-2-one has a molecular weight of 231.25 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2,5-dimethylphenoxy)-1H-pyrazin-2-one is sourced from PubChem (CID 114570862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).