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

C9H15N3O2 — CID 114986519

IUPAC3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrazin-2-one
SMILESCC(C)[C@@H](CO)Nc1ncc[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-6(2)7(5-13)12-8-9(14)11-4-3-10-8/h3-4,6-7,13H,5H2,1-2H3,(H,10,12)(H,11,14)/t7-/m1/s1
InChIKeyZQSVQUKZOBKFBH-SSDOTTSWSA-N
MW197.24 g/mol
LogP0.20
Rot. Bonds4

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

3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrazin-2-one (PubChem CID 114986519) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrazin-2-one
PubChem CID114986519
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrazin-2-one
SMILESCC(C)[C@@H](CO)Nc1ncc[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-6(2)7(5-13)12-8-9(14)11-4-3-10-8/h3-4,6-7,13H,5H2,1-2H3,(H,10,12)(H,11,14)/t7-/m1/s1
InChIKeyZQSVQUKZOBKFBH-SSDOTTSWSA-N
XLogP0.20
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[(3-methylpyrazin-2-yl)amino]butan-1-ol
CID 83063931
methyl 3-hydroxy-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanoate
CID 114571199
3-[(2-oxo-1H-pyrazin-3-yl)amino]butanamide
CID 115685000
3-(4-aminopentan-2-ylamino)-1H-pyrazin-2-one
CID 114571495
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-methylpyrazin-2-one
CID 79247191
3-(1-methylsulfonylpropan-2-ylamino)-1H-pyrazin-2-one
CID 115657583
N,N-dimethyl-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide
CID 115898862
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136949437
N-(2-methylpropyl)-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide
CID 114569242
3-[(1-amino-4-methylpentan-2-yl)amino]-1H-pyrazin-2-one
CID 114570963
3-[(1-chloro-4-methylpentan-2-yl)amino]-1H-pyrazin-2-one
CID 114571361
2-[(2-oxo-1H-pyrazin-3-yl)amino]-N-propan-2-ylacetamide
CID 115650193

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrazin-2-one (CID 114986519) is 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrazin-2-one is CC(C)[C@@H](CO)Nc1ncc[nH]c1=O.
What is the InChIKey of 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrazin-2-one?
The InChIKey is ZQSVQUKZOBKFBH-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(2)7(5-13)12-8-9(14)11-4-3-10-8/h3-4,6-7,13H,5H2,1-2H3,(H,10,12)(H,11,14)/t7-/m1/s1.
What are the key properties of 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrazin-2-one?
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrazin-2-one has a molecular weight of 197.24 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrazin-2-one is sourced from PubChem (CID 114986519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).