2,5,6-trimethyl-3-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]pyridazine-4-carboxamide

C15H17F3N4O2 — CID 97250941

IUPAC2,5,6-trimethyl-3-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]pyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)N[C@H](c2ccn(C)c2)C(F)(F)F)c1C
InChIInChI=1S/C15H17F3N4O2/c1-8-9(2)20-22(4)14(24)11(8)13(23)19-12(15(16,17)18)10-5-6-21(3)7-10/h5-7,12H,1-4H3,(H,19,23)/t12-/m1/s1
InChIKeyHYBFMBROSZXMKU-GFCCVEGCSA-N
MW342.32 g/mol
LogP1.77
Rot. Bonds3

About 2,5,6-trimethyl-3-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]pyridazine-4-carboxamide

2,5,6-trimethyl-3-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]pyridazine-4-carboxamide (PubChem CID 97250941) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is 2,5,6-trimethyl-3-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name2,5,6-trimethyl-3-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]pyridazine-4-carboxamide
PubChem CID97250941
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Name2,5,6-trimethyl-3-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]pyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)N[C@H](c2ccn(C)c2)C(F)(F)F)c1C
InChIInChI=1S/C15H17F3N4O2/c1-8-9(2)20-22(4)14(24)11(8)13(23)19-12(15(16,17)18)10-5-6-21(3)7-10/h5-7,12H,1-4H3,(H,19,23)/t12-/m1/s1
InChIKeyHYBFMBROSZXMKU-GFCCVEGCSA-N
XLogP1.77
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5,6-trimethyl-3-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]pyridazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-3-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]pyridazine-4-carboxamide?
The IUPAC name of 2,5,6-trimethyl-3-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]pyridazine-4-carboxamide (CID 97250941) is 2,5,6-trimethyl-3-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]pyridazine-4-carboxamide.
What is the SMILES notation for 2,5,6-trimethyl-3-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]pyridazine-4-carboxamide?
The canonical SMILES for 2,5,6-trimethyl-3-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]pyridazine-4-carboxamide is Cc1nn(C)c(=O)c(C(=O)N[C@H](c2ccn(C)c2)C(F)(F)F)c1C.
What is the InChIKey of 2,5,6-trimethyl-3-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]pyridazine-4-carboxamide?
The InChIKey is HYBFMBROSZXMKU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-8-9(2)20-22(4)14(24)11(8)13(23)19-12(15(16,17)18)10-5-6-21(3)7-10/h5-7,12H,1-4H3,(H,19,23)/t12-/m1/s1.
What are the key properties of 2,5,6-trimethyl-3-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]pyridazine-4-carboxamide?
2,5,6-trimethyl-3-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]pyridazine-4-carboxamide has a molecular weight of 342.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-3-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]pyridazine-4-carboxamide is sourced from PubChem (CID 97250941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).