3-cyclopropyl-1-(pyridazin-3-ylmethyl)piperazine-2,5-dione

C12H14N4O2 — CID 106897976

IUPAC3-cyclopropyl-1-(pyridazin-3-ylmethyl)piperazine-2,5-dione
SMILESO=C1CN(Cc2cccnn2)C(=O)C(C2CC2)N1
InChIInChI=1S/C12H14N4O2/c17-10-7-16(6-9-2-1-5-13-15-9)12(18)11(14-10)8-3-4-8/h1-2,5,8,11H,3-4,6-7H2,(H,14,17)
InChIKeyFMKXWUYJRHLCBS-UHFFFAOYSA-N
MW246.27 g/mol
LogP-0.29
Rot. Bonds3

About 3-cyclopropyl-1-(pyridazin-3-ylmethyl)piperazine-2,5-dione

3-cyclopropyl-1-(pyridazin-3-ylmethyl)piperazine-2,5-dione (PubChem CID 106897976) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-cyclopropyl-1-(pyridazin-3-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(pyridazin-3-ylmethyl)piperazine-2,5-dione
PubChem CID106897976
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name3-cyclopropyl-1-(pyridazin-3-ylmethyl)piperazine-2,5-dione
SMILESO=C1CN(Cc2cccnn2)C(=O)C(C2CC2)N1
InChIInChI=1S/C12H14N4O2/c17-10-7-16(6-9-2-1-5-13-15-9)12(18)11(14-10)8-3-4-8/h1-2,5,8,11H,3-4,6-7H2,(H,14,17)
InChIKeyFMKXWUYJRHLCBS-UHFFFAOYSA-N
XLogP-0.29
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(pyridazin-3-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(pyridazin-3-ylmethyl)piperazine-2,5-dione (CID 106897976) is 3-cyclopropyl-1-(pyridazin-3-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(pyridazin-3-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(pyridazin-3-ylmethyl)piperazine-2,5-dione is O=C1CN(Cc2cccnn2)C(=O)C(C2CC2)N1.
What is the InChIKey of 3-cyclopropyl-1-(pyridazin-3-ylmethyl)piperazine-2,5-dione?
The InChIKey is FMKXWUYJRHLCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-10-7-16(6-9-2-1-5-13-15-9)12(18)11(14-10)8-3-4-8/h1-2,5,8,11H,3-4,6-7H2,(H,14,17).
What are the key properties of 3-cyclopropyl-1-(pyridazin-3-ylmethyl)piperazine-2,5-dione?
3-cyclopropyl-1-(pyridazin-3-ylmethyl)piperazine-2,5-dione has a molecular weight of 246.27 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(pyridazin-3-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 106897976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).