5-chloro-4-[(2R)-3-oxo-2-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyridazin-6-one

C10H10ClF3N4O2 — CID 163578119

IUPAC5-chloro-4-[(2R)-3-oxo-2-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=C1NCCN(c2cn[nH]c(=O)c2Cl)[C@@H]1CC(F)(F)F
InChIInChI=1S/C10H10ClF3N4O2/c11-7-6(4-16-17-9(7)20)18-2-1-15-8(19)5(18)3-10(12,13)14/h4-5H,1-3H2,(H,15,19)(H,17,20)/t5-/m1/s1
InChIKeyGFHGLXBNPRMQEW-RXMQYKEDSA-N
MW310.66 g/mol
LogP0.68
Rot. Bonds2

About 5-chloro-4-[(2R)-3-oxo-2-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyridazin-6-one

5-chloro-4-[(2R)-3-oxo-2-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 163578119) has the molecular formula C10H10ClF3N4O2 and a molecular weight of 310.66 g/mol. Its IUPAC name is 5-chloro-4-[(2R)-3-oxo-2-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2R)-3-oxo-2-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID163578119
Molecular FormulaC10H10ClF3N4O2
Molecular Weight310.66 g/mol
Exact Mass310.04
IUPAC Name5-chloro-4-[(2R)-3-oxo-2-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=C1NCCN(c2cn[nH]c(=O)c2Cl)[C@@H]1CC(F)(F)F
InChIInChI=1S/C10H10ClF3N4O2/c11-7-6(4-16-17-9(7)20)18-2-1-15-8(19)5(18)3-10(12,13)14/h4-5H,1-3H2,(H,15,19)(H,17,20)/t5-/m1/s1
InChIKeyGFHGLXBNPRMQEW-RXMQYKEDSA-N
XLogP0.68
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.66
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2R)-3-oxo-2-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2R)-3-oxo-2-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyridazin-6-one (CID 163578119) is 5-chloro-4-[(2R)-3-oxo-2-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2R)-3-oxo-2-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2R)-3-oxo-2-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyridazin-6-one is O=C1NCCN(c2cn[nH]c(=O)c2Cl)[C@@H]1CC(F)(F)F.
What is the InChIKey of 5-chloro-4-[(2R)-3-oxo-2-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is GFHGLXBNPRMQEW-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H10ClF3N4O2/c11-7-6(4-16-17-9(7)20)18-2-1-15-8(19)5(18)3-10(12,13)14/h4-5H,1-3H2,(H,15,19)(H,17,20)/t5-/m1/s1.
What are the key properties of 5-chloro-4-[(2R)-3-oxo-2-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[(2R)-3-oxo-2-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 310.66 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2R)-3-oxo-2-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 163578119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).