ethyl 6-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate

C10H9F3N4O2 — CID 134965813

IUPACethyl 6-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1c(C)cnc2nc(C(F)(F)F)nn12
InChIInChI=1S/C10H9F3N4O2/c1-3-19-7(18)6-5(2)4-14-9-15-8(10(11,12)13)16-17(6)9/h4H,3H2,1-2H3
InChIKeyCBJULAYYSKFNSV-UHFFFAOYSA-N
MW274.20 g/mol
LogP1.63
Rot. Bonds2

About ethyl 6-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate

ethyl 6-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate (PubChem CID 134965813) has the molecular formula C10H9F3N4O2 and a molecular weight of 274.20 g/mol. Its IUPAC name is ethyl 6-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate
PubChem CID134965813
Molecular FormulaC10H9F3N4O2
Molecular Weight274.20 g/mol
Exact Mass274.07
IUPAC Nameethyl 6-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1c(C)cnc2nc(C(F)(F)F)nn12
InChIInChI=1S/C10H9F3N4O2/c1-3-19-7(18)6-5(2)4-14-9-15-8(10(11,12)13)16-17(6)9/h4H,3H2,1-2H3
InChIKeyCBJULAYYSKFNSV-UHFFFAOYSA-N
XLogP1.63
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate?
The IUPAC name of ethyl 6-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate (CID 134965813) is ethyl 6-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate.
What is the SMILES notation for ethyl 6-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate?
The canonical SMILES for ethyl 6-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate is CCOC(=O)c1c(C)cnc2nc(C(F)(F)F)nn12.
What is the InChIKey of ethyl 6-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate?
The InChIKey is CBJULAYYSKFNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O2/c1-3-19-7(18)6-5(2)4-14-9-15-8(10(11,12)13)16-17(6)9/h4H,3H2,1-2H3.
What are the key properties of ethyl 6-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate?
ethyl 6-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate has a molecular weight of 274.20 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 134965813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).