morpholin-4-yl-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]methanone

C16H15F3N4O2 — CID 109114740

IUPACmorpholin-4-yl-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]methanone
SMILESO=C(c1ccc(Nc2ccccc2C(F)(F)F)nn1)N1CCOCC1
InChIInChI=1S/C16H15F3N4O2/c17-16(18,19)11-3-1-2-4-12(11)20-14-6-5-13(21-22-14)15(24)23-7-9-25-10-8-23/h1-6H,7-10H2,(H,20,22)
InChIKeyCJJMHRFUHRWKNS-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.71
Rot. Bonds3

About morpholin-4-yl-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]methanone

morpholin-4-yl-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]methanone (PubChem CID 109114740) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is morpholin-4-yl-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]methanone
PubChem CID109114740
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC Namemorpholin-4-yl-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]methanone
SMILESO=C(c1ccc(Nc2ccccc2C(F)(F)F)nn1)N1CCOCC1
InChIInChI=1S/C16H15F3N4O2/c17-16(18,19)11-3-1-2-4-12(11)20-14-6-5-13(21-22-14)15(24)23-7-9-25-10-8-23/h1-6H,7-10H2,(H,20,22)
InChIKeyCJJMHRFUHRWKNS-UHFFFAOYSA-N
XLogP2.71
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze morpholin-4-yl-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

morpholin-4-yl-[6-(2-propan-2-ylanilino)pyridazin-3-yl]methanone
CID 109114707
[6-(methylamino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 62172695
[6-(4-bromoanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114727
1-[4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117262
[6-(3,4-difluoroanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114795
[6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111996
N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide
CID 113048912
N,N-diethyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109124460
1-[3-[[6-(morpholine-4-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 109114743
[6-(2-chloroanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109123610
(4-methylpiperazin-1-yl)-[2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109367119
methyl N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]carbamate
CID 113048941

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]methanone (CID 109114740) is morpholin-4-yl-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]methanone is O=C(c1ccc(Nc2ccccc2C(F)(F)F)nn1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]methanone?
The InChIKey is CJJMHRFUHRWKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c17-16(18,19)11-3-1-2-4-12(11)20-14-6-5-13(21-22-14)15(24)23-7-9-25-10-8-23/h1-6H,7-10H2,(H,20,22).
What are the key properties of morpholin-4-yl-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]methanone?
morpholin-4-yl-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]methanone has a molecular weight of 352.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]methanone is sourced from PubChem (CID 109114740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).