6-oxo-1-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide

C11H14F3N3O3 — CID 103723263

IUPAC6-oxo-1-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCC(O)C(F)(F)F)ccc1=O
InChIInChI=1S/C11H14F3N3O3/c1-2-5-17-9(19)4-3-7(16-17)10(20)15-6-8(18)11(12,13)14/h3-4,8,18H,2,5-6H2,1H3,(H,15,20)
InChIKeyCWDDONZVWSGXIX-UHFFFAOYSA-N
MW293.24 g/mol
LogP0.31
Rot. Bonds5

About 6-oxo-1-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide

6-oxo-1-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide (PubChem CID 103723263) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.24 g/mol. Its IUPAC name is 6-oxo-1-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
PubChem CID103723263
Molecular FormulaC11H14F3N3O3
Molecular Weight293.24 g/mol
Exact Mass293.10
IUPAC Name6-oxo-1-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCC(O)C(F)(F)F)ccc1=O
InChIInChI=1S/C11H14F3N3O3/c1-2-5-17-9(19)4-3-7(16-17)10(20)15-6-8(18)11(12,13)14/h3-4,8,18H,2,5-6H2,1H3,(H,15,20)
InChIKeyCWDDONZVWSGXIX-UHFFFAOYSA-N
XLogP0.31
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443195
2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide
CID 170266150
6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridazine-3-carboxamide
CID 36275037
6-oxo-1-propyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 45794092
1-(2-methoxyethyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-oxopyridazine-3-carboxamide
CID 45893404
1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 51166533
1-butyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 78786042
2-[(2S)-2-hydroxybutyl]-6-(trifluoromethyl)pyridazin-3-one
CID 99824500
2-[(2R)-2-hydroxybutyl]-6-(trifluoromethyl)pyridazin-3-one
CID 99824501
N-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 103082670
1-butyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
CID 103723041
1-(2-methoxyethyl)-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
CID 103723317

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-1-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide (CID 103723263) is 6-oxo-1-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-1-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide is CCCn1nc(C(=O)NCC(O)C(F)(F)F)ccc1=O.
What is the InChIKey of 6-oxo-1-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide?
The InChIKey is CWDDONZVWSGXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c1-2-5-17-9(19)4-3-7(16-17)10(20)15-6-8(18)11(12,13)14/h3-4,8,18H,2,5-6H2,1H3,(H,15,20).
What are the key properties of 6-oxo-1-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide?
6-oxo-1-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide has a molecular weight of 293.24 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide is sourced from PubChem (CID 103723263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).