3-(4-hydroxybutan-2-ylamino)-1-methylpyrazin-2-one

C9H15N3O2 — CID 79033342

IUPAC3-(4-hydroxybutan-2-ylamino)-1-methylpyrazin-2-one
SMILESCC(CCO)Nc1nccn(C)c1=O
InChIInChI=1S/C9H15N3O2/c1-7(3-6-13)11-8-9(14)12(2)5-4-10-8/h4-5,7,13H,3,6H2,1-2H3,(H,10,11)
InChIKeyMHNYKXXHVNWMEW-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.04
Rot. Bonds4

About 3-(4-hydroxybutan-2-ylamino)-1-methylpyrazin-2-one

3-(4-hydroxybutan-2-ylamino)-1-methylpyrazin-2-one (PubChem CID 79033342) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(4-hydroxybutan-2-ylamino)-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-(4-hydroxybutan-2-ylamino)-1-methylpyrazin-2-one
PubChem CID79033342
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-(4-hydroxybutan-2-ylamino)-1-methylpyrazin-2-one
SMILESCC(CCO)Nc1nccn(C)c1=O
InChIInChI=1S/C9H15N3O2/c1-7(3-6-13)11-8-9(14)12(2)5-4-10-8/h4-5,7,13H,3,6H2,1-2H3,(H,10,11)
InChIKeyMHNYKXXHVNWMEW-UHFFFAOYSA-N
XLogP-0.04
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-hydroxy-4-methylpentan-3-yl)amino]-1-methylpyrazin-2-one
CID 103703893
1-methyl-3-(4-methylsulfinylbutan-2-ylamino)pyrazin-2-one
CID 115689371
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-methylpyrazin-2-one
CID 79247191
1-methyl-3-(1-methylsulfonylpropan-2-ylamino)pyrazin-2-one
CID 64642834
methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
CID 62939909
3-(4-aminobutan-2-ylamino)-1-propan-2-ylpyrazin-2-one
CID 83178717
3-(2-chloropentan-3-ylamino)-1-methylpyrazin-2-one
CID 130892545
1-methyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyrazin-2-one
CID 62938696
3-(1-cyclopropylethylamino)-1-methylpyrazin-2-one
CID 62940076
3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-1-ol
CID 104732049
3-(1-aminopentan-2-ylamino)-1-methylpyrazin-2-one
CID 65192630
3-(4-hydroxybutan-2-ylsulfanyl)-1-methylpyrazin-2-one
CID 66135865

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybutan-2-ylamino)-1-methylpyrazin-2-one?
The IUPAC name of 3-(4-hydroxybutan-2-ylamino)-1-methylpyrazin-2-one (CID 79033342) is 3-(4-hydroxybutan-2-ylamino)-1-methylpyrazin-2-one.
What is the SMILES notation for 3-(4-hydroxybutan-2-ylamino)-1-methylpyrazin-2-one?
The canonical SMILES for 3-(4-hydroxybutan-2-ylamino)-1-methylpyrazin-2-one is CC(CCO)Nc1nccn(C)c1=O.
What is the InChIKey of 3-(4-hydroxybutan-2-ylamino)-1-methylpyrazin-2-one?
The InChIKey is MHNYKXXHVNWMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7(3-6-13)11-8-9(14)12(2)5-4-10-8/h4-5,7,13H,3,6H2,1-2H3,(H,10,11).
What are the key properties of 3-(4-hydroxybutan-2-ylamino)-1-methylpyrazin-2-one?
3-(4-hydroxybutan-2-ylamino)-1-methylpyrazin-2-one has a molecular weight of 197.24 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybutan-2-ylamino)-1-methylpyrazin-2-one is sourced from PubChem (CID 79033342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).