3-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-methylamino]-1-methylpyrazin-2-one

C11H19N3O3 — CID 136519461

IUPAC3-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-methylamino]-1-methylpyrazin-2-one
SMILESCN(CC(C)(CO)CO)c1nccn(C)c1=O
InChIInChI=1S/C11H19N3O3/c1-11(7-15,8-16)6-14(3)9-10(17)13(2)5-4-12-9/h4-5,15-16H,6-8H2,1-3H3
InChIKeyHHKXKCBHOIPVKP-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.79
Rot. Bonds5

About 3-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-methylamino]-1-methylpyrazin-2-one

3-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-methylamino]-1-methylpyrazin-2-one (PubChem CID 136519461) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-methylamino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-methylamino]-1-methylpyrazin-2-one
PubChem CID136519461
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name3-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-methylamino]-1-methylpyrazin-2-one
SMILESCN(CC(C)(CO)CO)c1nccn(C)c1=O
InChIInChI=1S/C11H19N3O3/c1-11(7-15,8-16)6-14(3)9-10(17)13(2)5-4-12-9/h4-5,15-16H,6-8H2,1-3H3
InChIKeyHHKXKCBHOIPVKP-UHFFFAOYSA-N
XLogP-0.79
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-hydroxyethyl(methyl)amino]-1-methylpyrazin-2-one
CID 62940803
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrazin-2-one
CID 107484278
methyl 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
CID 62940103
2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile
CID 62940589
1-methyl-3-[methyl-[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one
CID 106918192
1-methyl-3-[methyl-[(3,4,5-trifluorophenyl)methyl]amino]pyrazin-2-one
CID 84597024
3-[2-chloroethyl(2,2,2-trifluoroethyl)amino]-1-methylpyrazin-2-one
CID 107490714
3-[cyclobutyl(methyl)amino]-1-methylpyrazin-2-one
CID 126856997
2-[2-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]ethyl]benzoic acid
CID 104547169
3-[2-aminoethyl(propyl)amino]-1-methylpyrazin-2-one
CID 63766845
1-methyl-3-[methyl-[[(2S)-morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 98013250
3-[(2-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one
CID 115658440

Frequently Asked Questions

What is the IUPAC name of 3-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-methylamino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-methylamino]-1-methylpyrazin-2-one (CID 136519461) is 3-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-methylamino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-methylamino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-methylamino]-1-methylpyrazin-2-one is CN(CC(C)(CO)CO)c1nccn(C)c1=O.
What is the InChIKey of 3-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-methylamino]-1-methylpyrazin-2-one?
The InChIKey is HHKXKCBHOIPVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-11(7-15,8-16)6-14(3)9-10(17)13(2)5-4-12-9/h4-5,15-16H,6-8H2,1-3H3.
What are the key properties of 3-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-methylamino]-1-methylpyrazin-2-one?
3-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-methylamino]-1-methylpyrazin-2-one has a molecular weight of 241.29 g/mol, XLogP of -0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-methylamino]-1-methylpyrazin-2-one is sourced from PubChem (CID 136519461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).