N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C17H16F3N5O3 — CID 26177639

IUPACN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)c1nc2nccc(C)n2n1
InChIInChI=1S/C17H16F3N5O3/c1-10-5-6-21-16-23-14(24-25(10)16)15(26)22-12-9-11(17(18,19)20)3-4-13(12)28-8-7-27-2/h3-6,9H,7-8H2,1-2H3,(H,22,26)
InChIKeyOORDUXSZJMOTDY-UHFFFAOYSA-N
MW395.34 g/mol
LogP2.73
Rot. Bonds6

About N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 26177639) has the molecular formula C17H16F3N5O3 and a molecular weight of 395.34 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID26177639
Molecular FormulaC17H16F3N5O3
Molecular Weight395.34 g/mol
Exact Mass395.12
IUPAC NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)c1nc2nccc(C)n2n1
InChIInChI=1S/C17H16F3N5O3/c1-10-5-6-21-16-23-14(24-25(10)16)15(26)22-12-9-11(17(18,19)20)3-4-13(12)28-8-7-27-2/h3-6,9H,7-8H2,1-2H3,(H,22,26)
InChIKeyOORDUXSZJMOTDY-UHFFFAOYSA-N
XLogP2.73
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 52.73
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 N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 26177639) is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1nc2nccc(C)n2n1.
What is the InChIKey of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is OORDUXSZJMOTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O3/c1-10-5-6-21-16-23-14(24-25(10)16)15(26)22-12-9-11(17(18,19)20)3-4-13(12)28-8-7-27-2/h3-6,9H,7-8H2,1-2H3,(H,22,26).
What are the key properties of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 395.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 26177639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).