6-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide

C9H9ClF3N3O — CID 55010392

IUPAC6-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C9H9ClF3N3O/c1-2-16(5-9(11,12)13)8(17)6-3-4-7(10)15-14-6/h3-4H,2,5H2,1H3
InChIKeyCXVXTRRLHBPXJW-UHFFFAOYSA-N
MW267.64 g/mol
LogP2.15
Rot. Bonds3

About 6-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide

6-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (PubChem CID 55010392) has the molecular formula C9H9ClF3N3O and a molecular weight of 267.64 g/mol. Its IUPAC name is 6-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
PubChem CID55010392
Molecular FormulaC9H9ClF3N3O
Molecular Weight267.64 g/mol
Exact Mass267.04
IUPAC Name6-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C9H9ClF3N3O/c1-2-16(5-9(11,12)13)8(17)6-3-4-7(10)15-14-6/h3-4H,2,5H2,1H3
InChIKeyCXVXTRRLHBPXJW-UHFFFAOYSA-N
XLogP2.15
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.64
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (CID 55010392) is 6-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is CCN(CC(F)(F)F)C(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The InChIKey is CXVXTRRLHBPXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3O/c1-2-16(5-9(11,12)13)8(17)6-3-4-7(10)15-14-6/h3-4H,2,5H2,1H3.
What are the key properties of 6-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
6-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide has a molecular weight of 267.64 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 55010392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).