1-[(2R)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione

C8H12N2O3 — CID 103935365

IUPAC1-[(2R)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione
SMILESC[C@@H](O)Cn1ccn(C)c(=O)c1=O
InChIInChI=1S/C8H12N2O3/c1-6(11)5-10-4-3-9(2)7(12)8(10)13/h3-4,6,11H,5H2,1-2H3/t6-/m1/s1
InChIKeyDBSYWSJYCQJHQT-ZCFIWIBFSA-N
MW184.19 g/mol
LogP-1.07
Rot. Bonds2

About 1-[(2R)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione

1-[(2R)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione (PubChem CID 103935365) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-[(2R)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione
PubChem CID103935365
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1-[(2R)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione
SMILESC[C@@H](O)Cn1ccn(C)c(=O)c1=O
InChIInChI=1S/C8H12N2O3/c1-6(11)5-10-4-3-9(2)7(12)8(10)13/h3-4,6,11H,5H2,1-2H3/t6-/m1/s1
InChIKeyDBSYWSJYCQJHQT-ZCFIWIBFSA-N
XLogP-1.07
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione?
The IUPAC name of 1-[(2R)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione (CID 103935365) is 1-[(2R)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione.
What is the SMILES notation for 1-[(2R)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione?
The canonical SMILES for 1-[(2R)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione is C[C@@H](O)Cn1ccn(C)c(=O)c1=O.
What is the InChIKey of 1-[(2R)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione?
The InChIKey is DBSYWSJYCQJHQT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-6(11)5-10-4-3-9(2)7(12)8(10)13/h3-4,6,11H,5H2,1-2H3/t6-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione?
1-[(2R)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione has a molecular weight of 184.19 g/mol, XLogP of -1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione is sourced from PubChem (CID 103935365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).