N,N-dimethyl-6-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyridazin-3-amine

C14H18F3N7O — CID 163349137

IUPACN,N-dimethyl-6-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyridazin-3-amine
SMILESCN(C)c1ccc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)nn1
InChIInChI=1S/C14H18F3N7O/c1-22(2)10-3-4-11(19-18-10)24-7-5-23(6-8-24)9-12-20-21-13(25-12)14(15,16)17/h3-4H,5-9H2,1-2H3
InChIKeyJOIUIHMZQUPISG-UHFFFAOYSA-N
MW357.34 g/mol
LogP1.27
Rot. Bonds4

About N,N-dimethyl-6-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyridazin-3-amine

N,N-dimethyl-6-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyridazin-3-amine (PubChem CID 163349137) has the molecular formula C14H18F3N7O and a molecular weight of 357.34 g/mol. Its IUPAC name is N,N-dimethyl-6-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyridazin-3-amine
PubChem CID163349137
Molecular FormulaC14H18F3N7O
Molecular Weight357.34 g/mol
Exact Mass357.15
IUPAC NameN,N-dimethyl-6-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyridazin-3-amine
SMILESCN(C)c1ccc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)nn1
InChIInChI=1S/C14H18F3N7O/c1-22(2)10-3-4-11(19-18-10)24-7-5-23(6-8-24)9-12-20-21-13(25-12)14(15,16)17/h3-4H,5-9H2,1-2H3
InChIKeyJOIUIHMZQUPISG-UHFFFAOYSA-N
XLogP1.27
TPSA74.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyridazin-3-amine?
The IUPAC name of N,N-dimethyl-6-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyridazin-3-amine (CID 163349137) is N,N-dimethyl-6-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyridazin-3-amine.
What is the SMILES notation for N,N-dimethyl-6-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyridazin-3-amine?
The canonical SMILES for N,N-dimethyl-6-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyridazin-3-amine is CN(C)c1ccc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)nn1.
What is the InChIKey of N,N-dimethyl-6-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyridazin-3-amine?
The InChIKey is JOIUIHMZQUPISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N7O/c1-22(2)10-3-4-11(19-18-10)24-7-5-23(6-8-24)9-12-20-21-13(25-12)14(15,16)17/h3-4H,5-9H2,1-2H3.
What are the key properties of N,N-dimethyl-6-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyridazin-3-amine?
N,N-dimethyl-6-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyridazin-3-amine has a molecular weight of 357.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyridazin-3-amine is sourced from PubChem (CID 163349137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).