(6-chloropyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C11H12ClF3N4O — CID 61041063

IUPAC(6-chloropyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)nn1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H12ClF3N4O/c12-9-2-1-8(16-17-9)10(20)19-5-3-18(4-6-19)7-11(13,14)15/h1-2H,3-7H2
InChIKeyXIOLERYUDUEKDT-UHFFFAOYSA-N
MW308.69 g/mol
LogP1.45
Rot. Bonds2

About (6-chloropyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

(6-chloropyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 61041063) has the molecular formula C11H12ClF3N4O and a molecular weight of 308.69 g/mol. Its IUPAC name is (6-chloropyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloropyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID61041063
Molecular FormulaC11H12ClF3N4O
Molecular Weight308.69 g/mol
Exact Mass308.07
IUPAC Name(6-chloropyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)nn1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H12ClF3N4O/c12-9-2-1-8(16-17-9)10(20)19-5-3-18(4-6-19)7-11(13,14)15/h1-2H,3-7H2
InChIKeyXIOLERYUDUEKDT-UHFFFAOYSA-N
XLogP1.45
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.69
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloropyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of (6-chloropyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 61041063) is (6-chloropyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-chloropyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-chloropyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is O=C(c1ccc(Cl)nn1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of (6-chloropyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is XIOLERYUDUEKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N4O/c12-9-2-1-8(16-17-9)10(20)19-5-3-18(4-6-19)7-11(13,14)15/h1-2H,3-7H2.
What are the key properties of (6-chloropyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
(6-chloropyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 308.69 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 61041063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).