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

C11H15F3N4O — CID 62179220

IUPACN-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCCNc1ccc(C(=O)N(CC)CC(F)(F)F)nn1
InChIInChI=1S/C11H15F3N4O/c1-3-15-9-6-5-8(16-17-9)10(19)18(4-2)7-11(12,13)14/h5-6H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyLMWRBBBOKKPLIZ-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.93
Rot. Bonds5

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

N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (PubChem CID 62179220) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
PubChem CID62179220
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC NameN-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCCNc1ccc(C(=O)N(CC)CC(F)(F)F)nn1
InChIInChI=1S/C11H15F3N4O/c1-3-15-9-6-5-8(16-17-9)10(19)18(4-2)7-11(12,13)14/h5-6H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyLMWRBBBOKKPLIZ-UHFFFAOYSA-N
XLogP1.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 107486181
6-(ethylamino)-N,N-dipropylpyridazine-3-carboxamide
CID 62165114
N,N-dibutyl-6-(ethylamino)pyridazine-3-carboxamide
CID 62167195
3-chloro-N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62179575
N-ethyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 62181870
6-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 107486329
N,N-diethyl-6-[4-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109124462
N,N-diethyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109122067
N,N-diethyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109124460
6-(ethylamino)-N-(2-methylpropyl)-N-propan-2-ylpyridazine-3-carboxamide
CID 62178131
N-(2,2-dimethylpropyl)-N-methyl-6-(propylamino)pyridazine-3-carboxamide
CID 62178802
N-[3-(diethylamino)propyl]-6-(ethylamino)pyridazine-3-carboxamide
CID 62166382

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (CID 62179220) is N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is CCNc1ccc(C(=O)N(CC)CC(F)(F)F)nn1.
What is the InChIKey of N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The InChIKey is LMWRBBBOKKPLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-3-15-9-6-5-8(16-17-9)10(19)18(4-2)7-11(12,13)14/h5-6H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 62179220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).