5-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine

C10H10F3N5 — CID 59437445

IUPAC5-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine
SMILESNc1nc2cc(C(F)(F)F)cc(NC3CC3)n2n1
InChIInChI=1S/C10H10F3N5/c11-10(12,13)5-3-7(15-6-1-2-6)18-8(4-5)16-9(14)17-18/h3-4,6,15H,1-2H2,(H2,14,17)
InChIKeyOWHSLFVGMXGGTO-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.90
Rot. Bonds2

About 5-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine

5-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine (PubChem CID 59437445) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is 5-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine
PubChem CID59437445
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC Name5-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine
SMILESNc1nc2cc(C(F)(F)F)cc(NC3CC3)n2n1
InChIInChI=1S/C10H10F3N5/c11-10(12,13)5-3-7(15-6-1-2-6)18-8(4-5)16-9(14)17-18/h3-4,6,15H,1-2H2,(H2,14,17)
InChIKeyOWHSLFVGMXGGTO-UHFFFAOYSA-N
XLogP1.90
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine?
The IUPAC name of 5-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine (CID 59437445) is 5-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine.
What is the SMILES notation for 5-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine?
The canonical SMILES for 5-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine is Nc1nc2cc(C(F)(F)F)cc(NC3CC3)n2n1.
What is the InChIKey of 5-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine?
The InChIKey is OWHSLFVGMXGGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c11-10(12,13)5-3-7(15-6-1-2-6)18-8(4-5)16-9(14)17-18/h3-4,6,15H,1-2H2,(H2,14,17).
What are the key properties of 5-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine?
5-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine has a molecular weight of 257.22 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine is sourced from PubChem (CID 59437445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).