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

C11H14F3N3O4 — CID 103723317

IUPAC1-(2-methoxyethyl)-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NCC(O)C(F)(F)F)ccc1=O
InChIInChI=1S/C11H14F3N3O4/c1-21-5-4-17-9(19)3-2-7(16-17)10(20)15-6-8(18)11(12,13)14/h2-3,8,18H,4-6H2,1H3,(H,15,20)
InChIKeyNSSMFGADVICLRF-UHFFFAOYSA-N
MW309.24 g/mol
LogP-0.46
Rot. Bonds6

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

1-(2-methoxyethyl)-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide (PubChem CID 103723317) has the molecular formula C11H14F3N3O4 and a molecular weight of 309.24 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
PubChem CID103723317
Molecular FormulaC11H14F3N3O4
Molecular Weight309.24 g/mol
Exact Mass309.09
IUPAC Name1-(2-methoxyethyl)-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NCC(O)C(F)(F)F)ccc1=O
InChIInChI=1S/C11H14F3N3O4/c1-21-5-4-17-9(19)3-2-7(16-17)10(20)15-6-8(18)11(12,13)14/h2-3,8,18H,4-6H2,1H3,(H,15,20)
InChIKeyNSSMFGADVICLRF-UHFFFAOYSA-N
XLogP-0.46
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443195
6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridazine-3-carboxamide
CID 36275037
1-(2-methoxyethyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-oxopyridazine-3-carboxamide
CID 45893404
1-(2-methoxyethyl)-6-oxo-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide
CID 81341176
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
6-oxo-1-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
CID 103723263
N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103769738
N-(3,3-difluoro-2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 103769855
1-butyl-N-(3,3-difluoro-2-hydroxypropyl)-6-oxopyridazine-3-carboxamide
CID 103769860

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide (CID 103723317) is 1-(2-methoxyethyl)-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide is COCCn1nc(C(=O)NCC(O)C(F)(F)F)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide?
The InChIKey is NSSMFGADVICLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O4/c1-21-5-4-17-9(19)3-2-7(16-17)10(20)15-6-8(18)11(12,13)14/h2-3,8,18H,4-6H2,1H3,(H,15,20).
What are the key properties of 1-(2-methoxyethyl)-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide?
1-(2-methoxyethyl)-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide has a molecular weight of 309.24 g/mol, XLogP of -0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide is sourced from PubChem (CID 103723317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).