2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C6H4F3N5 — CID 75398512

IUPAC2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESNc1ccnc2nc(C(F)(F)F)nn12
InChIInChI=1S/C6H4F3N5/c7-6(8,9)4-12-5-11-2-1-3(10)14(5)13-4/h1-2H,10H2
InChIKeyQUOGYIMRTHRKLY-UHFFFAOYSA-N
MW203.13 g/mol
LogP0.73
Rot. Bonds

About 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 75398512) has the molecular formula C6H4F3N5 and a molecular weight of 203.13 g/mol. Its IUPAC name is 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID75398512
Molecular FormulaC6H4F3N5
Molecular Weight203.13 g/mol
Exact Mass203.04
IUPAC Name2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESNc1ccnc2nc(C(F)(F)F)nn12
InChIInChI=1S/C6H4F3N5/c7-6(8,9)4-12-5-11-2-1-3(10)14(5)13-4/h1-2H,10H2
InChIKeyQUOGYIMRTHRKLY-UHFFFAOYSA-N
XLogP0.73
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.13
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 75398512) is 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Nc1ccnc2nc(C(F)(F)F)nn12.
What is the InChIKey of 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QUOGYIMRTHRKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N5/c7-6(8,9)4-12-5-11-2-1-3(10)14(5)13-4/h1-2H,10H2.
What are the key properties of 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 203.13 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 75398512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).