1-methyl-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-2,6-dione

C10H9F3N4O2 — CID 99837317

IUPAC1-methyl-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-2,6-dione
SMILESCN1C(=O)CN(c2ccc(C(F)(F)F)nn2)CC1=O
InChIInChI=1S/C10H9F3N4O2/c1-16-8(18)4-17(5-9(16)19)7-3-2-6(14-15-7)10(11,12)13/h2-3H,4-5H2,1H3
InChIKeyPQNWJDVHCZFGJH-UHFFFAOYSA-N
MW274.20 g/mol
LogP0.30
Rot. Bonds1

About 1-methyl-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-2,6-dione

1-methyl-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-2,6-dione (PubChem CID 99837317) has the molecular formula C10H9F3N4O2 and a molecular weight of 274.20 g/mol. Its IUPAC name is 1-methyl-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-2,6-dione.

Molecular Properties

Compound Name1-methyl-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-2,6-dione
PubChem CID99837317
Molecular FormulaC10H9F3N4O2
Molecular Weight274.20 g/mol
Exact Mass274.07
IUPAC Name1-methyl-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-2,6-dione
SMILESCN1C(=O)CN(c2ccc(C(F)(F)F)nn2)CC1=O
InChIInChI=1S/C10H9F3N4O2/c1-16-8(18)4-17(5-9(16)19)7-3-2-6(14-15-7)10(11,12)13/h2-3H,4-5H2,1H3
InChIKeyPQNWJDVHCZFGJH-UHFFFAOYSA-N
XLogP0.30
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 50.30
H-Bond Donors ≤ 50
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 1-methyl-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-2,6-dione?
The IUPAC name of 1-methyl-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-2,6-dione (CID 99837317) is 1-methyl-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-2,6-dione.
What is the SMILES notation for 1-methyl-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-2,6-dione?
The canonical SMILES for 1-methyl-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-2,6-dione is CN1C(=O)CN(c2ccc(C(F)(F)F)nn2)CC1=O.
What is the InChIKey of 1-methyl-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-2,6-dione?
The InChIKey is PQNWJDVHCZFGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O2/c1-16-8(18)4-17(5-9(16)19)7-3-2-6(14-15-7)10(11,12)13/h2-3H,4-5H2,1H3.
What are the key properties of 1-methyl-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-2,6-dione?
1-methyl-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-2,6-dione has a molecular weight of 274.20 g/mol, XLogP of 0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-2,6-dione is sourced from PubChem (CID 99837317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).