5,7-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C16H14F3N5O2 — CID 41369796

IUPAC5,7-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)Nc3ccccc3OCC(F)(F)F)nc2n1
InChIInChI=1S/C16H14F3N5O2/c1-9-7-10(2)24-15(20-9)22-13(23-24)14(25)21-11-5-3-4-6-12(11)26-8-16(17,18)19/h3-7H,8H2,1-2H3,(H,21,25)
InChIKeyONJGXHWPLBFRDQ-UHFFFAOYSA-N
MW365.32 g/mol
LogP2.93
Rot. Bonds4

About 5,7-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

5,7-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 41369796) has the molecular formula C16H14F3N5O2 and a molecular weight of 365.32 g/mol. Its IUPAC name is 5,7-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID41369796
Molecular FormulaC16H14F3N5O2
Molecular Weight365.32 g/mol
Exact Mass365.11
IUPAC Name5,7-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)Nc3ccccc3OCC(F)(F)F)nc2n1
InChIInChI=1S/C16H14F3N5O2/c1-9-7-10(2)24-15(20-9)22-13(23-24)14(25)21-11-5-3-4-6-12(11)26-8-16(17,18)19/h3-7H,8H2,1-2H3,(H,21,25)
InChIKeyONJGXHWPLBFRDQ-UHFFFAOYSA-N
XLogP2.93
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-dimethyl-N-(2-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2549973
N-[2-(2-chlorophenoxy)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 37348111
1,3,6-trimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 33373987
N-(2,5-diethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17462345
[2-oxo-2-(2-phenoxyanilino)ethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2462455
N-(2,3-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26736872
N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 25414352
5,7-dimethyl-N-[2-(2-methylpropylcarbamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 34732747
5,7-dimethyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 86302434
N-(2-fluoro-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17404340
N-(4,5-dimethoxy-2-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 7751290
[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 26931332

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 41369796) is 5,7-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)Nc3ccccc3OCC(F)(F)F)nc2n1.
What is the InChIKey of 5,7-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ONJGXHWPLBFRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O2/c1-9-7-10(2)24-15(20-9)22-13(23-24)14(25)21-11-5-3-4-6-12(11)26-8-16(17,18)19/h3-7H,8H2,1-2H3,(H,21,25).
What are the key properties of 5,7-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 365.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 41369796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).