3-methyl-1-pyrazin-2-ylpyrrole-2,5-dione

C9H7N3O2 — CID 43616090

IUPAC3-methyl-1-pyrazin-2-ylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2cnccn2)C1=O
InChIInChI=1S/C9H7N3O2/c1-6-4-8(13)12(9(6)14)7-5-10-2-3-11-7/h2-5H,1H3
InChIKeyIUPATYBSAZYNLP-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.30
Rot. Bonds1

About 3-methyl-1-pyrazin-2-ylpyrrole-2,5-dione

3-methyl-1-pyrazin-2-ylpyrrole-2,5-dione (PubChem CID 43616090) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 3-methyl-1-pyrazin-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-pyrazin-2-ylpyrrole-2,5-dione
PubChem CID43616090
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name3-methyl-1-pyrazin-2-ylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2cnccn2)C1=O
InChIInChI=1S/C9H7N3O2/c1-6-4-8(13)12(9(6)14)7-5-10-2-3-11-7/h2-5H,1H3
InChIKeyIUPATYBSAZYNLP-UHFFFAOYSA-N
XLogP0.30
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-(4-methyl-3-pyridinyl)pyrrole-2,5-dione
CID 63327823
3-methyl-1-(1,2,4-triazin-3-yl)pyrrole-2,5-dione
CID 114388233
1-(3-fluoro-4-pyridinyl)-3-methylpyrrole-2,5-dione
CID 107595185
1,3-dioxo-2-pyrazin-2-ylisoindole-5-carboxylic acid
CID 43616140
1-pyrazin-2-ylpiperidin-4-one
CID 14156398
2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 154853788
1-(2-bromo-3-chlorophenyl)-3-methylpyrrole-2,5-dione
CID 103480245
4-methylidene-1-pyrazin-2-ylpyrrolidin-2-one
CID 101428669
1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-1-yl]-3-methylpyrrole-2,5-dione
CID 69214872
(3R)-5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxylic acid
CID 28875657
1-pyrazin-2-ylpyrazol-4-ol
CID 122241026
1-(2-bromo-5-methylphenyl)-3-methylpyrrole-2,5-dione
CID 82756585

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pyrazin-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-pyrazin-2-ylpyrrole-2,5-dione (CID 43616090) is 3-methyl-1-pyrazin-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-pyrazin-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-pyrazin-2-ylpyrrole-2,5-dione is CC1=CC(=O)N(c2cnccn2)C1=O.
What is the InChIKey of 3-methyl-1-pyrazin-2-ylpyrrole-2,5-dione?
The InChIKey is IUPATYBSAZYNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c1-6-4-8(13)12(9(6)14)7-5-10-2-3-11-7/h2-5H,1H3.
What are the key properties of 3-methyl-1-pyrazin-2-ylpyrrole-2,5-dione?
3-methyl-1-pyrazin-2-ylpyrrole-2,5-dione has a molecular weight of 189.17 g/mol, XLogP of 0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pyrazin-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 43616090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).