2,5,6-trimethyl-3-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide

C11H14F3N3O3 — CID 103874335

IUPAC2,5,6-trimethyl-3-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)NCC(O)C(F)(F)F)c1C
InChIInChI=1S/C11H14F3N3O3/c1-5-6(2)16-17(3)10(20)8(5)9(19)15-4-7(18)11(12,13)14/h7,18H,4H2,1-3H3,(H,15,19)
InChIKeyINNUTGSFLQZPPP-UHFFFAOYSA-N
MW293.25 g/mol
LogP0.05
Rot. Bonds3

About 2,5,6-trimethyl-3-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide

2,5,6-trimethyl-3-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide (PubChem CID 103874335) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.25 g/mol. Its IUPAC name is 2,5,6-trimethyl-3-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name2,5,6-trimethyl-3-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide
PubChem CID103874335
Molecular FormulaC11H14F3N3O3
Molecular Weight293.25 g/mol
Exact Mass293.10
IUPAC Name2,5,6-trimethyl-3-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)NCC(O)C(F)(F)F)c1C
InChIInChI=1S/C11H14F3N3O3/c1-5-6(2)16-17(3)10(20)8(5)9(19)15-4-7(18)11(12,13)14/h7,18H,4H2,1-3H3,(H,15,19)
InChIKeyINNUTGSFLQZPPP-UHFFFAOYSA-N
XLogP0.05
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 66169014
N-(2-hydroxy-2-methylpentyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 103874312
N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 130158705
(2R)-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 54990991
2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 43355324
2-[2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]ethylsulfanyl]acetic acid
CID 120526397
2,5,6-trimethyl-3-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]pyridazine-4-carboxamide
CID 97250941
(2R)-3-hydroxy-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 80749718
1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
CID 103730649
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 114751386
1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-carboxamide
CID 103860044
4-methyl-4-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]pentanoic acid
CID 62044160

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-3-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide?
The IUPAC name of 2,5,6-trimethyl-3-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide (CID 103874335) is 2,5,6-trimethyl-3-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide.
What is the SMILES notation for 2,5,6-trimethyl-3-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide?
The canonical SMILES for 2,5,6-trimethyl-3-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide is Cc1nn(C)c(=O)c(C(=O)NCC(O)C(F)(F)F)c1C.
What is the InChIKey of 2,5,6-trimethyl-3-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide?
The InChIKey is INNUTGSFLQZPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c1-5-6(2)16-17(3)10(20)8(5)9(19)15-4-7(18)11(12,13)14/h7,18H,4H2,1-3H3,(H,15,19).
What are the key properties of 2,5,6-trimethyl-3-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide?
2,5,6-trimethyl-3-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide has a molecular weight of 293.25 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-3-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide is sourced from PubChem (CID 103874335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).