3,3-dimethyl-4-(5-methylpyrazine-2-carbonyl)piperazine-2,6-dione

C12H14N4O3 — CID 66073832

IUPAC3,3-dimethyl-4-(5-methylpyrazine-2-carbonyl)piperazine-2,6-dione
SMILESCc1cnc(C(=O)N2CC(=O)NC(=O)C2(C)C)cn1
InChIInChI=1S/C12H14N4O3/c1-7-4-14-8(5-13-7)10(18)16-6-9(17)15-11(19)12(16,2)3/h4-5H,6H2,1-3H3,(H,15,17,19)
InChIKeyPZHYHNYDKQHPDM-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.34
Rot. Bonds1

About 3,3-dimethyl-4-(5-methylpyrazine-2-carbonyl)piperazine-2,6-dione

3,3-dimethyl-4-(5-methylpyrazine-2-carbonyl)piperazine-2,6-dione (PubChem CID 66073832) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3,3-dimethyl-4-(5-methylpyrazine-2-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3,3-dimethyl-4-(5-methylpyrazine-2-carbonyl)piperazine-2,6-dione
PubChem CID66073832
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name3,3-dimethyl-4-(5-methylpyrazine-2-carbonyl)piperazine-2,6-dione
SMILESCc1cnc(C(=O)N2CC(=O)NC(=O)C2(C)C)cn1
InChIInChI=1S/C12H14N4O3/c1-7-4-14-8(5-13-7)10(18)16-6-9(17)15-11(19)12(16,2)3/h4-5H,6H2,1-3H3,(H,15,17,19)
InChIKeyPZHYHNYDKQHPDM-UHFFFAOYSA-N
XLogP-0.34
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(5-methylpyrazine-2-carbonyl)piperazine-2,6-dione?
The IUPAC name of 3,3-dimethyl-4-(5-methylpyrazine-2-carbonyl)piperazine-2,6-dione (CID 66073832) is 3,3-dimethyl-4-(5-methylpyrazine-2-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 3,3-dimethyl-4-(5-methylpyrazine-2-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 3,3-dimethyl-4-(5-methylpyrazine-2-carbonyl)piperazine-2,6-dione is Cc1cnc(C(=O)N2CC(=O)NC(=O)C2(C)C)cn1.
What is the InChIKey of 3,3-dimethyl-4-(5-methylpyrazine-2-carbonyl)piperazine-2,6-dione?
The InChIKey is PZHYHNYDKQHPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7-4-14-8(5-13-7)10(18)16-6-9(17)15-11(19)12(16,2)3/h4-5H,6H2,1-3H3,(H,15,17,19).
What are the key properties of 3,3-dimethyl-4-(5-methylpyrazine-2-carbonyl)piperazine-2,6-dione?
3,3-dimethyl-4-(5-methylpyrazine-2-carbonyl)piperazine-2,6-dione has a molecular weight of 262.27 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(5-methylpyrazine-2-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 66073832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).