5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C6H3F3N4 — CID 12012770

IUPAC5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1ccn2ncnc2n1
InChIInChI=1S/C6H3F3N4/c7-6(8,9)4-1-2-13-5(12-4)10-3-11-13/h1-3H
InChIKeyANIWDLJPFHXHFC-UHFFFAOYSA-N
MW188.11 g/mol
LogP1.14
Rot. Bonds

About 5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 12012770) has the molecular formula C6H3F3N4 and a molecular weight of 188.11 g/mol. Its IUPAC name is 5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID12012770
Molecular FormulaC6H3F3N4
Molecular Weight188.11 g/mol
Exact Mass188.03
IUPAC Name5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1ccn2ncnc2n1
InChIInChI=1S/C6H3F3N4/c7-6(8,9)4-1-2-13-5(12-4)10-3-11-13/h1-3H
InChIKeyANIWDLJPFHXHFC-UHFFFAOYSA-N
XLogP1.14
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 12012770) is 5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)(F)c1ccn2ncnc2n1.
What is the InChIKey of 5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ANIWDLJPFHXHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N4/c7-6(8,9)4-1-2-13-5(12-4)10-3-11-13/h1-3H.
What are the key properties of 5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 188.11 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 12012770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).