6-methyl-3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

C16H16F3N3O2 — CID 14820825

IUPAC6-methyl-3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
SMILESCc1cc(=O)c(N2CCOCC2)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3N3O2/c1-11-9-14(23)15(21-5-7-24-8-6-21)20-22(11)13-4-2-3-12(10-13)16(17,18)19/h2-4,9-10H,5-8H2,1H3
InChIKeyBOWXXBJRMMQCQB-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.40
Rot. Bonds2

About 6-methyl-3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

6-methyl-3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one (PubChem CID 14820825) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 6-methyl-3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one.

Molecular Properties

Compound Name6-methyl-3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
PubChem CID14820825
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name6-methyl-3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
SMILESCc1cc(=O)c(N2CCOCC2)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3N3O2/c1-11-9-14(23)15(21-5-7-24-8-6-21)20-22(11)13-4-2-3-12(10-13)16(17,18)19/h2-4,9-10H,5-8H2,1H3
InChIKeyBOWXXBJRMMQCQB-UHFFFAOYSA-N
XLogP2.40
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one;hydrochloride
CID 122715031
6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide
CID 167743128
6-methyl-3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 46564640
6-methyl-3-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 3073149
6-methyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 55395568
6-methyl-3-(4-propanoyl-1,4-diazepane-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 60538577
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one;hydrochloride
CID 119412676
4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282517
4-[4-[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55715768
N-cyclohexyl-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 9071191
cyanomethyl 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
CID 7613597
3-(4-benzylpiperazine-1-carbonyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 27825031

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The IUPAC name of 6-methyl-3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one (CID 14820825) is 6-methyl-3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one.
What is the SMILES notation for 6-methyl-3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The canonical SMILES for 6-methyl-3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one is Cc1cc(=O)c(N2CCOCC2)nn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-methyl-3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The InChIKey is BOWXXBJRMMQCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-11-9-14(23)15(21-5-7-24-8-6-21)20-22(11)13-4-2-3-12(10-13)16(17,18)19/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 6-methyl-3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
6-methyl-3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one has a molecular weight of 339.32 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one is sourced from PubChem (CID 14820825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).