3-[3-(dimethylamino)phenoxy]-1H-pyrazin-2-one

C12H13N3O2 — CID 103241451

IUPAC3-[3-(dimethylamino)phenoxy]-1H-pyrazin-2-one
SMILESCN(C)c1cccc(Oc2ncc[nH]c2=O)c1
InChIInChI=1S/C12H13N3O2/c1-15(2)9-4-3-5-10(8-9)17-12-11(16)13-6-7-14-12/h3-8H,1-2H3,(H,13,16)
InChIKeyBUCNZHCRBRLMEZ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.63
Rot. Bonds3

About 3-[3-(dimethylamino)phenoxy]-1H-pyrazin-2-one

3-[3-(dimethylamino)phenoxy]-1H-pyrazin-2-one (PubChem CID 103241451) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-[3-(dimethylamino)phenoxy]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)phenoxy]-1H-pyrazin-2-one
PubChem CID103241451
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name3-[3-(dimethylamino)phenoxy]-1H-pyrazin-2-one
SMILESCN(C)c1cccc(Oc2ncc[nH]c2=O)c1
InChIInChI=1S/C12H13N3O2/c1-15(2)9-4-3-5-10(8-9)17-12-11(16)13-6-7-14-12/h3-8H,1-2H3,(H,13,16)
InChIKeyBUCNZHCRBRLMEZ-UHFFFAOYSA-N
XLogP1.63
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenoxy)-1H-pyrazin-2-one
CID 103241140
3-(4-ethoxyphenoxy)-1H-pyrazin-2-one
CID 103240950
3-(4-amino-3-fluorophenoxy)-1H-pyrazin-2-one
CID 114570857
3-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80913312
6-[3-(dimethylamino)phenoxy]-5-methylpyridine-3-carboxylic acid
CID 80632781
5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carboxylic acid
CID 81439249
3-(3-methoxyphenoxy)-N,N-dimethylaniline
CID 138490404
[6-[3-(dimethylamino)phenoxy]-5-methyl-3-pyridinyl]methanol
CID 80628307
3-(2-fluoro-5-methylphenoxy)-1H-pyrazin-2-one
CID 103241750
3-(4-fluoro-2-methylphenoxy)-1H-pyrazin-2-one
CID 103241890
3-(4-bromo-2-methylphenoxy)-1H-pyrazin-2-one
CID 114570737
3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80920463

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)phenoxy]-1H-pyrazin-2-one?
The IUPAC name of 3-[3-(dimethylamino)phenoxy]-1H-pyrazin-2-one (CID 103241451) is 3-[3-(dimethylamino)phenoxy]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[3-(dimethylamino)phenoxy]-1H-pyrazin-2-one?
The canonical SMILES for 3-[3-(dimethylamino)phenoxy]-1H-pyrazin-2-one is CN(C)c1cccc(Oc2ncc[nH]c2=O)c1.
What is the InChIKey of 3-[3-(dimethylamino)phenoxy]-1H-pyrazin-2-one?
The InChIKey is BUCNZHCRBRLMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15(2)9-4-3-5-10(8-9)17-12-11(16)13-6-7-14-12/h3-8H,1-2H3,(H,13,16).
What are the key properties of 3-[3-(dimethylamino)phenoxy]-1H-pyrazin-2-one?
3-[3-(dimethylamino)phenoxy]-1H-pyrazin-2-one has a molecular weight of 231.25 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)phenoxy]-1H-pyrazin-2-one is sourced from PubChem (CID 103241451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).