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

C11H13ClF3N3O — CID 61051059

IUPACN-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C11H13ClF3N3O/c1-2-3-6-18(7-11(13,14)15)10(19)8-4-5-9(12)17-16-8/h4-5H,2-3,6-7H2,1H3
InChIKeyANENZMNBPYQGIJ-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.93
Rot. Bonds5

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

N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (PubChem CID 61051059) has the molecular formula C11H13ClF3N3O and a molecular weight of 295.69 g/mol. Its IUPAC name is N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
PubChem CID61051059
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC NameN-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C11H13ClF3N3O/c1-2-3-6-18(7-11(13,14)15)10(19)8-4-5-9(12)17-16-8/h4-5H,2-3,6-7H2,1H3
InChIKeyANENZMNBPYQGIJ-UHFFFAOYSA-N
XLogP2.93
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The IUPAC name of N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (CID 61051059) is N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is CCCCN(CC(F)(F)F)C(=O)c1ccc(Cl)nn1.
What is the InChIKey of N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The InChIKey is ANENZMNBPYQGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c1-2-3-6-18(7-11(13,14)15)10(19)8-4-5-9(12)17-16-8/h4-5H,2-3,6-7H2,1H3.
What are the key properties of N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide has a molecular weight of 295.69 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 61051059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).