3-[2-hydroxyethyl(methyl)amino]-1-methylpyrazin-2-one

C8H13N3O2 — CID 62940803

IUPAC3-[2-hydroxyethyl(methyl)amino]-1-methylpyrazin-2-one
SMILESCN(CCO)c1nccn(C)c1=O
InChIInChI=1S/C8H13N3O2/c1-10(5-6-12)7-8(13)11(2)4-3-9-7/h3-4,12H,5-6H2,1-2H3
InChIKeyVEXSUUZCHKDPEE-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.79
Rot. Bonds3

About 3-[2-hydroxyethyl(methyl)amino]-1-methylpyrazin-2-one

3-[2-hydroxyethyl(methyl)amino]-1-methylpyrazin-2-one (PubChem CID 62940803) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)amino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)amino]-1-methylpyrazin-2-one
PubChem CID62940803
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-[2-hydroxyethyl(methyl)amino]-1-methylpyrazin-2-one
SMILESCN(CCO)c1nccn(C)c1=O
InChIInChI=1S/C8H13N3O2/c1-10(5-6-12)7-8(13)11(2)4-3-9-7/h3-4,12H,5-6H2,1-2H3
InChIKeyVEXSUUZCHKDPEE-UHFFFAOYSA-N
XLogP-0.79
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrazin-2-one
CID 107484278
3-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-methylamino]-1-methylpyrazin-2-one
CID 136519461
2-[2-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]ethyl]benzoic acid
CID 104547169
methyl 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
CID 62940103
3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one
CID 62929908
2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile
CID 62940589
3-[ethyl(2-hydroxyethyl)amino]-1-propylpyrazin-2-one
CID 62929380
1-methyl-3-[methyl-[(3,4,5-trifluorophenyl)methyl]amino]pyrazin-2-one
CID 84597024
1-methyl-3-[methyl-[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one
CID 106918192
3-[2-aminoethyl(propyl)amino]-1-methylpyrazin-2-one
CID 63766845
3-[cyclobutyl(methyl)amino]-1-methylpyrazin-2-one
CID 126856997
3-[2-bromoethyl(butyl)amino]-1-methylpyrazin-2-one
CID 80669412

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-1-methylpyrazin-2-one (CID 62940803) is 3-[2-hydroxyethyl(methyl)amino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)amino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)amino]-1-methylpyrazin-2-one is CN(CCO)c1nccn(C)c1=O.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)amino]-1-methylpyrazin-2-one?
The InChIKey is VEXSUUZCHKDPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-10(5-6-12)7-8(13)11(2)4-3-9-7/h3-4,12H,5-6H2,1-2H3.
What are the key properties of 3-[2-hydroxyethyl(methyl)amino]-1-methylpyrazin-2-one?
3-[2-hydroxyethyl(methyl)amino]-1-methylpyrazin-2-one has a molecular weight of 183.21 g/mol, XLogP of -0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(methyl)amino]-1-methylpyrazin-2-one is sourced from PubChem (CID 62940803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).