6-methyl-2-[2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one

C15H19F3N6O2 — CID 126913711

IUPAC6-methyl-2-[2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(Cc3nnc(C(F)(F)F)o3)CC2)n1
InChIInChI=1S/C15H19F3N6O2/c1-11-2-3-13(25)24(21-11)9-8-22-4-6-23(7-5-22)10-12-19-20-14(26-12)15(16,17)18/h2-3H,4-10H2,1H3
InChIKeyQGUVBDYDTGZNIX-UHFFFAOYSA-N
MW372.35 g/mol
LogP0.77
Rot. Bonds5

About 6-methyl-2-[2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one

6-methyl-2-[2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126913711) has the molecular formula C15H19F3N6O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is 6-methyl-2-[2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126913711
Molecular FormulaC15H19F3N6O2
Molecular Weight372.35 g/mol
Exact Mass372.15
IUPAC Name6-methyl-2-[2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(Cc3nnc(C(F)(F)F)o3)CC2)n1
InChIInChI=1S/C15H19F3N6O2/c1-11-2-3-13(25)24(21-11)9-8-22-4-6-23(7-5-22)10-12-19-20-14(26-12)15(16,17)18/h2-3H,4-10H2,1H3
InChIKeyQGUVBDYDTGZNIX-UHFFFAOYSA-N
XLogP0.77
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one (CID 126913711) is 6-methyl-2-[2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one is Cc1ccc(=O)n(CCN2CCN(Cc3nnc(C(F)(F)F)o3)CC2)n1.
What is the InChIKey of 6-methyl-2-[2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is QGUVBDYDTGZNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6O2/c1-11-2-3-13(25)24(21-11)9-8-22-4-6-23(7-5-22)10-12-19-20-14(26-12)15(16,17)18/h2-3H,4-10H2,1H3.
What are the key properties of 6-methyl-2-[2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
6-methyl-2-[2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 372.35 g/mol, XLogP of 0.77, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126913711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).