6-methyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione

C9H12N4O2 — CID 79786543

IUPAC6-methyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione
SMILESCC1C(=O)NCC(=O)N1c1ccn(C)n1
InChIInChI=1S/C9H12N4O2/c1-6-9(15)10-5-8(14)13(6)7-3-4-12(2)11-7/h3-4,6H,5H2,1-2H3,(H,10,15)
InChIKeyYNUALLOLNFODNC-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.73
Rot. Bonds1

About 6-methyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione

6-methyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione (PubChem CID 79786543) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 6-methyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione
PubChem CID79786543
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name6-methyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione
SMILESCC1C(=O)NCC(=O)N1c1ccn(C)n1
InChIInChI=1S/C9H12N4O2/c1-6-9(15)10-5-8(14)13(6)7-3-4-12(2)11-7/h3-4,6H,5H2,1-2H3,(H,10,15)
InChIKeyYNUALLOLNFODNC-UHFFFAOYSA-N
XLogP-0.73
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione?
The IUPAC name of 6-methyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione (CID 79786543) is 6-methyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione.
What is the SMILES notation for 6-methyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione?
The canonical SMILES for 6-methyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione is CC1C(=O)NCC(=O)N1c1ccn(C)n1.
What is the InChIKey of 6-methyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione?
The InChIKey is YNUALLOLNFODNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-6-9(15)10-5-8(14)13(6)7-3-4-12(2)11-7/h3-4,6H,5H2,1-2H3,(H,10,15).
What are the key properties of 6-methyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione?
6-methyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione has a molecular weight of 208.22 g/mol, XLogP of -0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione is sourced from PubChem (CID 79786543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).