6-cyclopropyl-4-(trifluoromethyl)-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyridazin-3-one

C16H22F3N3O2 — CID 56820117

IUPAC6-cyclopropyl-4-(trifluoromethyl)-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyridazin-3-one
SMILESCC1CN(Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)CC(C)(C)O1
InChIInChI=1S/C16H22F3N3O2/c1-10-7-21(8-15(2,3)24-10)9-22-14(23)12(16(17,18)19)6-13(20-22)11-4-5-11/h6,10-11H,4-5,7-9H2,1-3H3
InChIKeyUTODNRBPYAMICK-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.60
Rot. Bonds3

About 6-cyclopropyl-4-(trifluoromethyl)-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyridazin-3-one

6-cyclopropyl-4-(trifluoromethyl)-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyridazin-3-one (PubChem CID 56820117) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 6-cyclopropyl-4-(trifluoromethyl)-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-4-(trifluoromethyl)-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyridazin-3-one
PubChem CID56820117
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name6-cyclopropyl-4-(trifluoromethyl)-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyridazin-3-one
SMILESCC1CN(Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)CC(C)(C)O1
InChIInChI=1S/C16H22F3N3O2/c1-10-7-21(8-15(2,3)24-10)9-22-14(23)12(16(17,18)19)6-13(20-22)11-4-5-11/h6,10-11H,4-5,7-9H2,1-3H3
InChIKeyUTODNRBPYAMICK-UHFFFAOYSA-N
XLogP2.60
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-(trifluoromethyl)-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-4-(trifluoromethyl)-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyridazin-3-one (CID 56820117) is 6-cyclopropyl-4-(trifluoromethyl)-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-4-(trifluoromethyl)-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-4-(trifluoromethyl)-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyridazin-3-one is CC1CN(Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)CC(C)(C)O1.
What is the InChIKey of 6-cyclopropyl-4-(trifluoromethyl)-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyridazin-3-one?
The InChIKey is UTODNRBPYAMICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-10-7-21(8-15(2,3)24-10)9-22-14(23)12(16(17,18)19)6-13(20-22)11-4-5-11/h6,10-11H,4-5,7-9H2,1-3H3.
What are the key properties of 6-cyclopropyl-4-(trifluoromethyl)-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyridazin-3-one?
6-cyclopropyl-4-(trifluoromethyl)-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyridazin-3-one has a molecular weight of 345.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-(trifluoromethyl)-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 56820117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).