3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-methylpyrazin-2-one

C10H17N3O2 — CID 79247191

IUPAC3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-methylpyrazin-2-one
SMILESCC(C)[C@@H](CO)Nc1nccn(C)c1=O
InChIInChI=1S/C10H17N3O2/c1-7(2)8(6-14)12-9-10(15)13(3)5-4-11-9/h4-5,7-8,14H,6H2,1-3H3,(H,11,12)/t8-/m1/s1
InChIKeySXULBHZHFZMHRJ-MRVPVSSYSA-N
MW211.26 g/mol
LogP0.21
Rot. Bonds4

About 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-methylpyrazin-2-one

3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-methylpyrazin-2-one (PubChem CID 79247191) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-methylpyrazin-2-one
PubChem CID79247191
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-methylpyrazin-2-one
SMILESCC(C)[C@@H](CO)Nc1nccn(C)c1=O
InChIInChI=1S/C10H17N3O2/c1-7(2)8(6-14)12-9-10(15)13(3)5-4-11-9/h4-5,7-8,14H,6H2,1-3H3,(H,11,12)/t8-/m1/s1
InChIKeySXULBHZHFZMHRJ-MRVPVSSYSA-N
XLogP0.21
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.21
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
3-(4-hydroxybutan-2-ylamino)-1-methylpyrazin-2-one
CID 79033342
3-(2-chloropentan-3-ylamino)-1-methylpyrazin-2-one
CID 130892545
methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
CID 62939909
3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-methylpyrazin-2-one
CID 63260482
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrazin-2-one
CID 114986519
1-methyl-3-(1-methylsulfonylpropan-2-ylamino)pyrazin-2-one
CID 64642834
3-(1-cyclopropylethylamino)-1-methylpyrazin-2-one
CID 62940076
3-methyl-2-[(3-methylpyrazin-2-yl)amino]butan-1-ol
CID 83063931
3-(1-aminobutan-2-ylamino)-1-methylpyrazin-2-one
CID 63765313
1-methyl-3-(4-methylsulfinylbutan-2-ylamino)pyrazin-2-one
CID 115689371
6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 79246251

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-methylpyrazin-2-one (CID 79247191) is 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-methylpyrazin-2-one is CC(C)[C@@H](CO)Nc1nccn(C)c1=O.
What is the InChIKey of 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-methylpyrazin-2-one?
The InChIKey is SXULBHZHFZMHRJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)8(6-14)12-9-10(15)13(3)5-4-11-9/h4-5,7-8,14H,6H2,1-3H3,(H,11,12)/t8-/m1/s1.
What are the key properties of 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-methylpyrazin-2-one?
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-methylpyrazin-2-one has a molecular weight of 211.26 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-methylpyrazin-2-one is sourced from PubChem (CID 79247191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).