7-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine

C8H11F3N4 — CID 69043729

IUPAC7-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCCC1Cc2nnc(C(F)(F)F)n2CN1
InChIInChI=1S/C8H11F3N4/c1-2-5-3-6-13-14-7(8(9,10)11)15(6)4-12-5/h5,12H,2-4H2,1H3
InChIKeyRBMYAWWEJVZFGP-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.18
Rot. Bonds1

About 7-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine

7-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 69043729) has the molecular formula C8H11F3N4 and a molecular weight of 220.20 g/mol. Its IUPAC name is 7-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID69043729
Molecular FormulaC8H11F3N4
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name7-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCCC1Cc2nnc(C(F)(F)F)n2CN1
InChIInChI=1S/C8H11F3N4/c1-2-5-3-6-13-14-7(8(9,10)11)15(6)4-12-5/h5,12H,2-4H2,1H3
InChIKeyRBMYAWWEJVZFGP-UHFFFAOYSA-N
XLogP1.18
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine (CID 69043729) is 7-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine is CCC1Cc2nnc(C(F)(F)F)n2CN1.
What is the InChIKey of 7-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is RBMYAWWEJVZFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4/c1-2-5-3-6-13-14-7(8(9,10)11)15(6)4-12-5/h5,12H,2-4H2,1H3.
What are the key properties of 7-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine?
7-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 220.20 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 69043729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).