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

C11H13ClF3N3O — CID 61051253

IUPAC6-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C11H13ClF3N3O/c1-7(2)5-18(6-11(13,14)15)10(19)8-3-4-9(12)17-16-8/h3-4,7H,5-6H2,1-2H3
InChIKeyWLUDVHVMEPQWMA-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.79
Rot. Bonds4

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

6-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (PubChem CID 61051253) has the molecular formula C11H13ClF3N3O and a molecular weight of 295.69 g/mol. Its IUPAC name is 6-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
PubChem CID61051253
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC Name6-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C11H13ClF3N3O/c1-7(2)5-18(6-11(13,14)15)10(19)8-3-4-9(12)17-16-8/h3-4,7H,5-6H2,1-2H3
InChIKeyWLUDVHVMEPQWMA-UHFFFAOYSA-N
XLogP2.79
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (CID 61051253) is 6-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is CC(C)CN(CC(F)(F)F)C(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The InChIKey is WLUDVHVMEPQWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c1-7(2)5-18(6-11(13,14)15)10(19)8-3-4-9(12)17-16-8/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 6-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
6-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide has a molecular weight of 295.69 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 61051253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).