6-ethyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C8H7F3N4O — CID 134439406

IUPAC6-ethyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C(F)(F)F)nc2nc[nH]n2c1=O
InChIInChI=1S/C8H7F3N4O/c1-2-4-5(8(9,10)11)14-7-12-3-13-15(7)6(4)16/h3H,2H2,1H3,(H,12,13,14)
InChIKeyGDJCPIMEQYCNPM-UHFFFAOYSA-N
MW232.16 g/mol
LogP1.00
Rot. Bonds1

About 6-ethyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

6-ethyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 134439406) has the molecular formula C8H7F3N4O and a molecular weight of 232.16 g/mol. Its IUPAC name is 6-ethyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-ethyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID134439406
Molecular FormulaC8H7F3N4O
Molecular Weight232.16 g/mol
Exact Mass232.06
IUPAC Name6-ethyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C(F)(F)F)nc2nc[nH]n2c1=O
InChIInChI=1S/C8H7F3N4O/c1-2-4-5(8(9,10)11)14-7-12-3-13-15(7)6(4)16/h3H,2H2,1H3,(H,12,13,14)
InChIKeyGDJCPIMEQYCNPM-UHFFFAOYSA-N
XLogP1.00
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-ethyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 134439406) is 6-ethyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-ethyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-ethyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCc1c(C(F)(F)F)nc2nc[nH]n2c1=O.
What is the InChIKey of 6-ethyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GDJCPIMEQYCNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4O/c1-2-4-5(8(9,10)11)14-7-12-3-13-15(7)6(4)16/h3H,2H2,1H3,(H,12,13,14).
What are the key properties of 6-ethyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-ethyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 232.16 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134439406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).