N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide

C15H14F3N3O3 — CID 51094246

IUPACN-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC(O)c2ccccc2C(F)(F)F)ccc1=O
InChIInChI=1S/C15H14F3N3O3/c1-21-13(23)7-6-11(20-21)14(24)19-8-12(22)9-4-2-3-5-10(9)15(16,17)18/h2-7,12,22H,8H2,1H3,(H,19,24)
InChIKeyQTBGAKAESGTROV-UHFFFAOYSA-N
MW341.29 g/mol
LogP1.26
Rot. Bonds4

About N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 51094246) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID51094246
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC NameN-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC(O)c2ccccc2C(F)(F)F)ccc1=O
InChIInChI=1S/C15H14F3N3O3/c1-21-13(23)7-6-11(20-21)14(24)19-8-12(22)9-4-2-3-5-10(9)15(16,17)18/h2-7,12,22H,8H2,1H3,(H,19,24)
InChIKeyQTBGAKAESGTROV-UHFFFAOYSA-N
XLogP1.26
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 51094246) is N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NCC(O)c2ccccc2C(F)(F)F)ccc1=O.
What is the InChIKey of N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is QTBGAKAESGTROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c1-21-13(23)7-6-11(20-21)14(24)19-8-12(22)9-4-2-3-5-10(9)15(16,17)18/h2-7,12,22H,8H2,1H3,(H,19,24).
What are the key properties of N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 341.29 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 51094246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).