3-[(1-hydroxy-4-methylpentan-3-yl)amino]-1-methylpyrazin-2-one

C11H19N3O2 — CID 103703893

IUPAC3-[(1-hydroxy-4-methylpentan-3-yl)amino]-1-methylpyrazin-2-one
SMILESCC(C)C(CCO)Nc1nccn(C)c1=O
InChIInChI=1S/C11H19N3O2/c1-8(2)9(4-7-15)13-10-11(16)14(3)6-5-12-10/h5-6,8-9,15H,4,7H2,1-3H3,(H,12,13)
InChIKeyBFDGIXRGWFPLMY-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.60
Rot. Bonds5

About 3-[(1-hydroxy-4-methylpentan-3-yl)amino]-1-methylpyrazin-2-one

3-[(1-hydroxy-4-methylpentan-3-yl)amino]-1-methylpyrazin-2-one (PubChem CID 103703893) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[(1-hydroxy-4-methylpentan-3-yl)amino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[(1-hydroxy-4-methylpentan-3-yl)amino]-1-methylpyrazin-2-one
PubChem CID103703893
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-[(1-hydroxy-4-methylpentan-3-yl)amino]-1-methylpyrazin-2-one
SMILESCC(C)C(CCO)Nc1nccn(C)c1=O
InChIInChI=1S/C11H19N3O2/c1-8(2)9(4-7-15)13-10-11(16)14(3)6-5-12-10/h5-6,8-9,15H,4,7H2,1-3H3,(H,12,13)
InChIKeyBFDGIXRGWFPLMY-UHFFFAOYSA-N
XLogP0.60
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-methylpyrazin-2-one
CID 79247191
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
1-methyl-3-(4-methylsulfinylbutan-2-ylamino)pyrazin-2-one
CID 115689371
1-methyl-3-(1-methylsulfonylpropan-2-ylamino)pyrazin-2-one
CID 64642834
3-(1-cyclopropylethylamino)-1-methylpyrazin-2-one
CID 62940076
3-(1-aminopentan-2-ylamino)-1-methylpyrazin-2-one
CID 65192630
3-[(3-bromo-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 106350440
3-(4-hydroxybutan-2-ylsulfanyl)-1-methylpyrazin-2-one
CID 66135865
3-(1-aminobutan-2-ylamino)-1-methylpyrazin-2-one
CID 63765313
3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-methylpyrazin-2-one
CID 63260482

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-4-methylpentan-3-yl)amino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[(1-hydroxy-4-methylpentan-3-yl)amino]-1-methylpyrazin-2-one (CID 103703893) is 3-[(1-hydroxy-4-methylpentan-3-yl)amino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[(1-hydroxy-4-methylpentan-3-yl)amino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[(1-hydroxy-4-methylpentan-3-yl)amino]-1-methylpyrazin-2-one is CC(C)C(CCO)Nc1nccn(C)c1=O.
What is the InChIKey of 3-[(1-hydroxy-4-methylpentan-3-yl)amino]-1-methylpyrazin-2-one?
The InChIKey is BFDGIXRGWFPLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)9(4-7-15)13-10-11(16)14(3)6-5-12-10/h5-6,8-9,15H,4,7H2,1-3H3,(H,12,13).
What are the key properties of 3-[(1-hydroxy-4-methylpentan-3-yl)amino]-1-methylpyrazin-2-one?
3-[(1-hydroxy-4-methylpentan-3-yl)amino]-1-methylpyrazin-2-one has a molecular weight of 225.29 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-4-methylpentan-3-yl)amino]-1-methylpyrazin-2-one is sourced from PubChem (CID 103703893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).