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

C10H17N3O2 — CID 103241797

IUPAC3-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrazin-2-one
SMILESCN(C)C(C)(C)COc1ncc[nH]c1=O
InChIInChI=1S/C10H17N3O2/c1-10(2,13(3)4)7-15-9-8(14)11-5-6-12-9/h5-6H,7H2,1-4H3,(H,11,14)
InChIKeyXQAWEVPMELOLTK-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.49
Rot. Bonds4

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

3-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrazin-2-one (PubChem CID 103241797) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrazin-2-one
PubChem CID103241797
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrazin-2-one
SMILESCN(C)C(C)(C)COc1ncc[nH]c1=O
InChIInChI=1S/C10H17N3O2/c1-10(2,13(3)4)7-15-9-8(14)11-5-6-12-9/h5-6H,7H2,1-4H3,(H,11,14)
InChIKeyXQAWEVPMELOLTK-UHFFFAOYSA-N
XLogP0.49
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(diethylamino)ethoxy]-1H-pyrazin-2-one
CID 103241414
3-(4-ethoxyphenoxy)-1H-pyrazin-2-one
CID 103240950
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrazin-2-one
CID 103240598
3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazin-2-one
CID 114569343
3-[2,2-difluoroethyl(methyl)amino]-1H-pyrazin-2-one
CID 114570348
3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one
CID 115897525
3-[3-(dimethylamino)phenoxy]-1H-pyrazin-2-one
CID 103241451
3-[2-methoxyethyl(methyl)amino]-1H-pyrazin-2-one
CID 115657141
3-[3-(dimethylamino)propylamino]-1H-pyrazin-2-one
CID 114568070
3-(4-fluorophenoxy)-1H-pyrazin-2-one
CID 103241140
3-(4-amino-2,5-dimethylphenoxy)-1H-pyrazin-2-one
CID 114570862
3-[4-(hydroxymethyl)phenoxy]-1H-pyrazin-2-one
CID 114571100

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrazin-2-one?
The IUPAC name of 3-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrazin-2-one (CID 103241797) is 3-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrazin-2-one?
The canonical SMILES for 3-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrazin-2-one is CN(C)C(C)(C)COc1ncc[nH]c1=O.
What is the InChIKey of 3-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrazin-2-one?
The InChIKey is XQAWEVPMELOLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,13(3)4)7-15-9-8(14)11-5-6-12-9/h5-6H,7H2,1-4H3,(H,11,14).
What are the key properties of 3-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrazin-2-one?
3-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrazin-2-one has a molecular weight of 211.26 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrazin-2-one is sourced from PubChem (CID 103241797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).