5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one

C11H14N4O3 — CID 55218057

IUPAC5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H14N4O3/c1-11(2)10(18)12-3-4-15(11)9(17)7-5-14-8(16)6-13-7/h5-6H,3-4H2,1-2H3,(H,12,18)(H,14,16)
InChIKeyDJGOCTYQAHQZTA-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.88
Rot. Bonds1

About 5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one

5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one (PubChem CID 55218057) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one
PubChem CID55218057
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H14N4O3/c1-11(2)10(18)12-3-4-15(11)9(17)7-5-14-8(16)6-13-7/h5-6H,3-4H2,1-2H3,(H,12,18)(H,14,16)
InChIKeyDJGOCTYQAHQZTA-UHFFFAOYSA-N
XLogP-0.88
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one?
The IUPAC name of 5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one (CID 55218057) is 5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one.
What is the SMILES notation for 5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one?
The canonical SMILES for 5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one is CC1(C)C(=O)NCCN1C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one?
The InChIKey is DJGOCTYQAHQZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-11(2)10(18)12-3-4-15(11)9(17)7-5-14-8(16)6-13-7/h5-6H,3-4H2,1-2H3,(H,12,18)(H,14,16).
What are the key properties of 5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one?
5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one has a molecular weight of 250.26 g/mol, XLogP of -0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1H-pyrazin-2-one is sourced from PubChem (CID 55218057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).