N-butyl-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide

C12H18F3N3O2 — CID 52638046

IUPACN-butyl-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C12H18F3N3O2/c1-3-4-7-18(8-12(13,14)15)11(20)9-5-6-10(19)17(2)16-9/h3-8H2,1-2H3
InChIKeyDKQMUAAELWNTOE-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.79
Rot. Bonds5

About N-butyl-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide

N-butyl-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide (PubChem CID 52638046) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is N-butyl-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide
PubChem CID52638046
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC NameN-butyl-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C12H18F3N3O2/c1-3-4-7-18(8-12(13,14)15)11(20)9-5-6-10(19)17(2)16-9/h3-8H2,1-2H3
InChIKeyDKQMUAAELWNTOE-UHFFFAOYSA-N
XLogP1.79
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-butyl-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide (CID 52638046) is N-butyl-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-butyl-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-butyl-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide is CCCCN(CC(F)(F)F)C(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of N-butyl-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is DKQMUAAELWNTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-3-4-7-18(8-12(13,14)15)11(20)9-5-6-10(19)17(2)16-9/h3-8H2,1-2H3.
What are the key properties of N-butyl-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide?
N-butyl-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 293.29 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 52638046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).