7-ethyl-N-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C10H10F3N5O2 — CID 82721850

IUPAC7-ethyl-N-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1c(C(=O)NOCC(F)(F)F)cnc2ncnn12
InChIInChI=1S/C10H10F3N5O2/c1-2-7-6(3-14-9-15-5-16-18(7)9)8(19)17-20-4-10(11,12)13/h3,5H,2,4H2,1H3,(H,17,19)
InChIKeyQXLXYCNULYOXLR-UHFFFAOYSA-N
MW289.22 g/mol
LogP0.91
Rot. Bonds4

About 7-ethyl-N-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

7-ethyl-N-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 82721850) has the molecular formula C10H10F3N5O2 and a molecular weight of 289.22 g/mol. Its IUPAC name is 7-ethyl-N-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-ethyl-N-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID82721850
Molecular FormulaC10H10F3N5O2
Molecular Weight289.22 g/mol
Exact Mass289.08
IUPAC Name7-ethyl-N-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1c(C(=O)NOCC(F)(F)F)cnc2ncnn12
InChIInChI=1S/C10H10F3N5O2/c1-2-7-6(3-14-9-15-5-16-18(7)9)8(19)17-20-4-10(11,12)13/h3,5H,2,4H2,1H3,(H,17,19)
InChIKeyQXLXYCNULYOXLR-UHFFFAOYSA-N
XLogP0.91
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-ethyl-N-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 82721850) is 7-ethyl-N-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-ethyl-N-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-ethyl-N-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCc1c(C(=O)NOCC(F)(F)F)cnc2ncnn12.
What is the InChIKey of 7-ethyl-N-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is QXLXYCNULYOXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O2/c1-2-7-6(3-14-9-15-5-16-18(7)9)8(19)17-20-4-10(11,12)13/h3,5H,2,4H2,1H3,(H,17,19).
What are the key properties of 7-ethyl-N-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-ethyl-N-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 289.22 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 82721850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).