3-hydroxy-5,6-dimethyl-4-propan-2-yl-1,3-dihydropyrazin-2-one

C9H16N2O2 — CID 163611020

IUPAC3-hydroxy-5,6-dimethyl-4-propan-2-yl-1,3-dihydropyrazin-2-one
SMILESCC1=C(C)N(C(C)C)C(O)C(=O)N1
InChIInChI=1S/C9H16N2O2/c1-5(2)11-7(4)6(3)10-8(12)9(11)13/h5,9,13H,1-4H3,(H,10,12)
InChIKeyJNBLSWQBZQNXBF-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.40
Rot. Bonds1

About 3-hydroxy-5,6-dimethyl-4-propan-2-yl-1,3-dihydropyrazin-2-one

3-hydroxy-5,6-dimethyl-4-propan-2-yl-1,3-dihydropyrazin-2-one (PubChem CID 163611020) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-hydroxy-5,6-dimethyl-4-propan-2-yl-1,3-dihydropyrazin-2-one.

Molecular Properties

Compound Name3-hydroxy-5,6-dimethyl-4-propan-2-yl-1,3-dihydropyrazin-2-one
PubChem CID163611020
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-hydroxy-5,6-dimethyl-4-propan-2-yl-1,3-dihydropyrazin-2-one
SMILESCC1=C(C)N(C(C)C)C(O)C(=O)N1
InChIInChI=1S/C9H16N2O2/c1-5(2)11-7(4)6(3)10-8(12)9(11)13/h5,9,13H,1-4H3,(H,10,12)
InChIKeyJNBLSWQBZQNXBF-UHFFFAOYSA-N
XLogP0.40
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-hydroxy-1-methylimidazolidine-2,4-dione
CID 10057538
5-hydroxy-4-methyl-1-propan-2-ylpyrrolidin-2-one
CID 134548886
bromo-[4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-2-yl]iodanium
CID 101271398
4-bromo-2-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
CID 163973220
1-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 159038205
1-[(4,5-dihydroxy-2-oxo-3-propan-2-ylimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-propan-2-ylimidazolidin-2-one
CID 20557127
(4S)-5-hydroxy-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 67896747
2-hydroxy-1-propan-2-yl-2,3-dihydropteridin-4-one
CID 170239987
3-hydroxy-4-propan-2-ylpyrrolidine-2,5-dione
CID 59887449
5-hydroxy-2,4-dioxoimidazolidine-1-carbaldehyde
CID 541443
(3R,4S,5R)-3-acetyl-4,5-dimethyl-1-propan-2-ylpyrrolidin-2-one
CID 59097313
5-methyl-1-propan-2-ylpyrrolidine-2,4-dione
CID 59298741

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5,6-dimethyl-4-propan-2-yl-1,3-dihydropyrazin-2-one?
The IUPAC name of 3-hydroxy-5,6-dimethyl-4-propan-2-yl-1,3-dihydropyrazin-2-one (CID 163611020) is 3-hydroxy-5,6-dimethyl-4-propan-2-yl-1,3-dihydropyrazin-2-one.
What is the SMILES notation for 3-hydroxy-5,6-dimethyl-4-propan-2-yl-1,3-dihydropyrazin-2-one?
The canonical SMILES for 3-hydroxy-5,6-dimethyl-4-propan-2-yl-1,3-dihydropyrazin-2-one is CC1=C(C)N(C(C)C)C(O)C(=O)N1.
What is the InChIKey of 3-hydroxy-5,6-dimethyl-4-propan-2-yl-1,3-dihydropyrazin-2-one?
The InChIKey is JNBLSWQBZQNXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-5(2)11-7(4)6(3)10-8(12)9(11)13/h5,9,13H,1-4H3,(H,10,12).
What are the key properties of 3-hydroxy-5,6-dimethyl-4-propan-2-yl-1,3-dihydropyrazin-2-one?
3-hydroxy-5,6-dimethyl-4-propan-2-yl-1,3-dihydropyrazin-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5,6-dimethyl-4-propan-2-yl-1,3-dihydropyrazin-2-one is sourced from PubChem (CID 163611020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).