6-tert-butyl-2-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one

C16H20F3N5O2 — CID 126927821

IUPAC6-tert-butyl-2-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CN(Cc3nnc(C(F)(F)F)o3)C2)n1
InChIInChI=1S/C16H20F3N5O2/c1-15(2,3)11-4-5-13(25)24(22-11)8-10-6-23(7-10)9-12-20-21-14(26-12)16(17,18)19/h4-5,10H,6-9H2,1-3H3
InChIKeyISFUUWXGTSSXIM-UHFFFAOYSA-N
MW371.36 g/mol
LogP2.07
Rot. Bonds4

About 6-tert-butyl-2-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one

6-tert-butyl-2-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126927821) has the molecular formula C16H20F3N5O2 and a molecular weight of 371.36 g/mol. Its IUPAC name is 6-tert-butyl-2-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126927821
Molecular FormulaC16H20F3N5O2
Molecular Weight371.36 g/mol
Exact Mass371.16
IUPAC Name6-tert-butyl-2-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CN(Cc3nnc(C(F)(F)F)o3)C2)n1
InChIInChI=1S/C16H20F3N5O2/c1-15(2,3)11-4-5-13(25)24(22-11)8-10-6-23(7-10)9-12-20-21-14(26-12)16(17,18)19/h4-5,10H,6-9H2,1-3H3
InChIKeyISFUUWXGTSSXIM-UHFFFAOYSA-N
XLogP2.07
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one (CID 126927821) is 6-tert-butyl-2-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one is CC(C)(C)c1ccc(=O)n(CC2CN(Cc3nnc(C(F)(F)F)o3)C2)n1.
What is the InChIKey of 6-tert-butyl-2-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is ISFUUWXGTSSXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O2/c1-15(2,3)11-4-5-13(25)24(22-11)8-10-6-23(7-10)9-12-20-21-14(26-12)16(17,18)19/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 6-tert-butyl-2-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one?
6-tert-butyl-2-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 371.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126927821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).