1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpiperidine-3-carboxamide

C16H21F3N6O — CID 75430627

IUPAC1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCc1c(N2CCCC(C(=O)N(C)C)C2)nn2c(C(F)(F)F)nnc2c1C
InChIInChI=1S/C16H21F3N6O/c1-9-10(2)13(22-25-12(9)20-21-15(25)16(17,18)19)24-7-5-6-11(8-24)14(26)23(3)4/h11H,5-8H2,1-4H3
InChIKeyLKZLOJUDZPYLIU-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.06
Rot. Bonds2

About 1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpiperidine-3-carboxamide

1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 75430627) has the molecular formula C16H21F3N6O and a molecular weight of 370.38 g/mol. Its IUPAC name is 1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpiperidine-3-carboxamide
PubChem CID75430627
Molecular FormulaC16H21F3N6O
Molecular Weight370.38 g/mol
Exact Mass370.17
IUPAC Name1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCc1c(N2CCCC(C(=O)N(C)C)C2)nn2c(C(F)(F)F)nnc2c1C
InChIInChI=1S/C16H21F3N6O/c1-9-10(2)13(22-25-12(9)20-21-15(25)16(17,18)19)24-7-5-6-11(8-24)14(26)23(3)4/h11H,5-8H2,1-4H3
InChIKeyLKZLOJUDZPYLIU-UHFFFAOYSA-N
XLogP2.06
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of 1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpiperidine-3-carboxamide (CID 75430627) is 1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpiperidine-3-carboxamide is Cc1c(N2CCCC(C(=O)N(C)C)C2)nn2c(C(F)(F)F)nnc2c1C.
What is the InChIKey of 1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is LKZLOJUDZPYLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N6O/c1-9-10(2)13(22-25-12(9)20-21-15(25)16(17,18)19)24-7-5-6-11(8-24)14(26)23(3)4/h11H,5-8H2,1-4H3.
What are the key properties of 1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpiperidine-3-carboxamide?
1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 75430627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).