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

C7H9F3N4 — CID 69041126

IUPAC5-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCC1NCCc2nnc(C(F)(F)F)n21
InChIInChI=1S/C7H9F3N4/c1-4-11-3-2-5-12-13-6(14(4)5)7(8,9)10/h4,11H,2-3H2,1H3
InChIKeyIOEKIIZLIFSDDT-UHFFFAOYSA-N
MW206.17 g/mol
LogP0.96
Rot. Bonds

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

5-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 69041126) has the molecular formula C7H9F3N4 and a molecular weight of 206.17 g/mol. Its IUPAC name is 5-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name5-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID69041126
Molecular FormulaC7H9F3N4
Molecular Weight206.17 g/mol
Exact Mass206.08
IUPAC Name5-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCC1NCCc2nnc(C(F)(F)F)n21
InChIInChI=1S/C7H9F3N4/c1-4-11-3-2-5-12-13-6(14(4)5)7(8,9)10/h4,11H,2-3H2,1H3
InChIKeyIOEKIIZLIFSDDT-UHFFFAOYSA-N
XLogP0.96
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 5-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine (CID 69041126) is 5-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 5-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 5-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine is CC1NCCc2nnc(C(F)(F)F)n21.
What is the InChIKey of 5-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is IOEKIIZLIFSDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4/c1-4-11-3-2-5-12-13-6(14(4)5)7(8,9)10/h4,11H,2-3H2,1H3.
What are the key properties of 5-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine?
5-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 206.17 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 69041126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).