5,6-dimethyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H15F3N6O — CID 133398642

IUPAC5,6-dimethyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(NCCOc2ncccc2C(F)(F)F)c1C
InChIInChI=1S/C15H15F3N6O/c1-9-10(2)23-14-21-8-22-24(14)12(9)19-6-7-25-13-11(15(16,17)18)4-3-5-20-13/h3-5,8,19H,6-7H2,1-2H3
InChIKeyRYSCFWBWBBYGIK-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.65
Rot. Bonds5

About 5,6-dimethyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5,6-dimethyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133398642) has the molecular formula C15H15F3N6O and a molecular weight of 352.32 g/mol. Its IUPAC name is 5,6-dimethyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133398642
Molecular FormulaC15H15F3N6O
Molecular Weight352.32 g/mol
Exact Mass352.13
IUPAC Name5,6-dimethyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(NCCOc2ncccc2C(F)(F)F)c1C
InChIInChI=1S/C15H15F3N6O/c1-9-10(2)23-14-21-8-22-24(14)12(9)19-6-7-25-13-11(15(16,17)18)4-3-5-20-13/h3-5,8,19H,6-7H2,1-2H3
InChIKeyRYSCFWBWBBYGIK-UHFFFAOYSA-N
XLogP2.65
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5,6-dimethyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133398642) is 5,6-dimethyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5,6-dimethyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5,6-dimethyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ncnn2c(NCCOc2ncccc2C(F)(F)F)c1C.
What is the InChIKey of 5,6-dimethyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RYSCFWBWBBYGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N6O/c1-9-10(2)23-14-21-8-22-24(14)12(9)19-6-7-25-13-11(15(16,17)18)4-3-5-20-13/h3-5,8,19H,6-7H2,1-2H3.
What are the key properties of 5,6-dimethyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5,6-dimethyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 352.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133398642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).