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

C10H10F3N5 — CID 25212770

IUPAC2-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine
SMILESNc1cc(C(F)(F)F)cc2nc(NC3CC3)nn12
InChIInChI=1S/C10H10F3N5/c11-10(12,13)5-3-7(14)18-8(4-5)16-9(17-18)15-6-1-2-6/h3-4,6H,1-2,14H2,(H,15,17)
InChIKeyBSWMDHIXYIHRLP-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.90
Rot. Bonds2

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

2-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine (PubChem CID 25212770) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is 2-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine
PubChem CID25212770
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC Name2-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine
SMILESNc1cc(C(F)(F)F)cc2nc(NC3CC3)nn12
InChIInChI=1S/C10H10F3N5/c11-10(12,13)5-3-7(14)18-8(4-5)16-9(17-18)15-6-1-2-6/h3-4,6H,1-2,14H2,(H,15,17)
InChIKeyBSWMDHIXYIHRLP-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 2-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine?
The IUPAC name of 2-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine (CID 25212770) is 2-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine?
The canonical SMILES for 2-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine is Nc1cc(C(F)(F)F)cc2nc(NC3CC3)nn12.
What is the InChIKey of 2-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine?
The InChIKey is BSWMDHIXYIHRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c11-10(12,13)5-3-7(14)18-8(4-5)16-9(17-18)15-6-1-2-6/h3-4,6H,1-2,14H2,(H,15,17).
What are the key properties of 2-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine?
2-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 2-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine is sourced from PubChem (CID 25212770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).