3-methyl-4-(pyrazine-2-carbonyl)piperazine-2,6-dione

C10H10N4O3 — CID 66060995

IUPAC3-methyl-4-(pyrazine-2-carbonyl)piperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)c1cnccn1
InChIInChI=1S/C10H10N4O3/c1-6-9(16)13-8(15)5-14(6)10(17)7-4-11-2-3-12-7/h2-4,6H,5H2,1H3,(H,13,15,16)
InChIKeyLBIDKVHTKNXHSC-UHFFFAOYSA-N
MW234.21 g/mol
LogP-1.04
Rot. Bonds1

About 3-methyl-4-(pyrazine-2-carbonyl)piperazine-2,6-dione

3-methyl-4-(pyrazine-2-carbonyl)piperazine-2,6-dione (PubChem CID 66060995) has the molecular formula C10H10N4O3 and a molecular weight of 234.21 g/mol. Its IUPAC name is 3-methyl-4-(pyrazine-2-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4-(pyrazine-2-carbonyl)piperazine-2,6-dione
PubChem CID66060995
Molecular FormulaC10H10N4O3
Molecular Weight234.21 g/mol
Exact Mass234.08
IUPAC Name3-methyl-4-(pyrazine-2-carbonyl)piperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)c1cnccn1
InChIInChI=1S/C10H10N4O3/c1-6-9(16)13-8(15)5-14(6)10(17)7-4-11-2-3-12-7/h2-4,6H,5H2,1H3,(H,13,15,16)
InChIKeyLBIDKVHTKNXHSC-UHFFFAOYSA-N
XLogP-1.04
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(5-bromopyridine-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66061183
3-methyl-4-(pyrimidine-5-carbonyl)piperazine-2,6-dione
CID 102922193
3-methyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione
CID 107973133
4-(4-hydrazinylpyridine-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66076054
3-methyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione
CID 81244952
4-(2-amino-3-fluoropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione
CID 105386764
2-methyl-6-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyridine-3-carbonitrile
CID 66062893
5-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 66061161
4-(5-amino-2-propan-2-ylpyrimidine-4-carbonyl)-3-methylpiperazine-2,6-dione
CID 66076434
4-(2,6-dichlorobenzoyl)-3-methylpiperazine-2,6-dione
CID 66062103
4-(4-tert-butylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061337
4-methyl-5-(pyrazine-2-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 71943192

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(pyrazine-2-carbonyl)piperazine-2,6-dione?
The IUPAC name of 3-methyl-4-(pyrazine-2-carbonyl)piperazine-2,6-dione (CID 66060995) is 3-methyl-4-(pyrazine-2-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-4-(pyrazine-2-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 3-methyl-4-(pyrazine-2-carbonyl)piperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)c1cnccn1.
What is the InChIKey of 3-methyl-4-(pyrazine-2-carbonyl)piperazine-2,6-dione?
The InChIKey is LBIDKVHTKNXHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-6-9(16)13-8(15)5-14(6)10(17)7-4-11-2-3-12-7/h2-4,6H,5H2,1H3,(H,13,15,16).
What are the key properties of 3-methyl-4-(pyrazine-2-carbonyl)piperazine-2,6-dione?
3-methyl-4-(pyrazine-2-carbonyl)piperazine-2,6-dione has a molecular weight of 234.21 g/mol, XLogP of -1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(pyrazine-2-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 66060995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).