N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C11H12F5N5O — CID 56790905

IUPACN-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCN(CC(F)F)c1cc(C(F)(F)F)nc2ncnn12
InChIInChI=1S/C11H12F5N5O/c1-22-3-2-20(5-8(12)13)9-4-7(11(14,15)16)19-10-17-6-18-21(9)10/h4,6,8H,2-3,5H2,1H3
InChIKeySRFIBDCAOQFATJ-UHFFFAOYSA-N
MW325.24 g/mol
LogP1.86
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56790905) has the molecular formula C11H12F5N5O and a molecular weight of 325.24 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID56790905
Molecular FormulaC11H12F5N5O
Molecular Weight325.24 g/mol
Exact Mass325.10
IUPAC NameN-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCN(CC(F)F)c1cc(C(F)(F)F)nc2ncnn12
InChIInChI=1S/C11H12F5N5O/c1-22-3-2-20(5-8(12)13)9-4-7(11(14,15)16)19-10-17-6-18-21(9)10/h4,6,8H,2-3,5H2,1H3
InChIKeySRFIBDCAOQFATJ-UHFFFAOYSA-N
XLogP1.86
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 56790905) is N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COCCN(CC(F)F)c1cc(C(F)(F)F)nc2ncnn12.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SRFIBDCAOQFATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F5N5O/c1-22-3-2-20(5-8(12)13)9-4-7(11(14,15)16)19-10-17-6-18-21(9)10/h4,6,8H,2-3,5H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 325.24 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56790905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).