5-amino-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one

C6H5ClF3N3O — CID 114432872

IUPAC5-amino-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESNc1cnn(CC(F)(F)F)c(=O)c1Cl
InChIInChI=1S/C6H5ClF3N3O/c7-4-3(11)1-12-13(5(4)14)2-6(8,9)10/h1H,2,11H2
InChIKeyOKOPOBRMIVDQKX-UHFFFAOYSA-N
MW227.57 g/mol
LogP1.04
Rot. Bonds1

About 5-amino-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one

5-amino-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one (PubChem CID 114432872) has the molecular formula C6H5ClF3N3O and a molecular weight of 227.57 g/mol. Its IUPAC name is 5-amino-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-amino-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one
PubChem CID114432872
Molecular FormulaC6H5ClF3N3O
Molecular Weight227.57 g/mol
Exact Mass227.01
IUPAC Name5-amino-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESNc1cnn(CC(F)(F)F)c(=O)c1Cl
InChIInChI=1S/C6H5ClF3N3O/c7-4-3(11)1-12-13(5(4)14)2-6(8,9)10/h1H,2,11H2
InChIKeyOKOPOBRMIVDQKX-UHFFFAOYSA-N
XLogP1.04
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.57
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyldesphenylchloridazon
CID 594330
4-Chloro-5-(methylamino)-2-(trifluoromethyl)pyridazin-3-one
CID 70372555
2-(2-Aminoethyl)-4-chloro-5-fluoropyridazin-3-one
CID 150699899
4-Chloro-5-[2-(dimethylamino)ethylamino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 16091043
5-chloro-4-(3,3,3-trifluoropropylamino)-1H-pyridazin-6-one
CID 79033828
5-chloro-4-(2,2-difluoroethylamino)-1H-pyridazin-6-one
CID 79098505
5-chloro-4-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one
CID 80746939
4-Chloro-2-methyl-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one
CID 104854560
4-Chloro-2-(2-methylpropyl)-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one
CID 105940182
4-Chloro-5-(4,4,4-trifluorobutan-2-ylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 105940368
4-Chloro-2-propyl-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one
CID 105940508
4-Chloro-2-propan-2-yl-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one
CID 105940556

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The IUPAC name of 5-amino-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one (CID 114432872) is 5-amino-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one.
What is the SMILES notation for 5-amino-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The canonical SMILES for 5-amino-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one is Nc1cnn(CC(F)(F)F)c(=O)c1Cl.
What is the InChIKey of 5-amino-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The InChIKey is OKOPOBRMIVDQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF3N3O/c7-4-3(11)1-12-13(5(4)14)2-6(8,9)10/h1H,2,11H2.
What are the key properties of 5-amino-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
5-amino-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one has a molecular weight of 227.57 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one is sourced from PubChem (CID 114432872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).