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

C10H12F3N5 — CID 25212512

IUPAC5-N-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine
SMILESCC(C)Nc1cc(C(F)(F)F)cc2nc(N)nn12
InChIInChI=1S/C10H12F3N5/c1-5(2)15-7-3-6(10(11,12)13)4-8-16-9(14)17-18(7)8/h3-5,15H,1-2H3,(H2,14,17)
InChIKeyICLVAOIGZAKEQP-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.15
Rot. Bonds2

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

5-N-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine (PubChem CID 25212512) has the molecular formula C10H12F3N5 and a molecular weight of 259.24 g/mol. Its IUPAC name is 5-N-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine
PubChem CID25212512
Molecular FormulaC10H12F3N5
Molecular Weight259.24 g/mol
Exact Mass259.10
IUPAC Name5-N-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine
SMILESCC(C)Nc1cc(C(F)(F)F)cc2nc(N)nn12
InChIInChI=1S/C10H12F3N5/c1-5(2)15-7-3-6(10(11,12)13)4-8-16-9(14)17-18(7)8/h3-5,15H,1-2H3,(H2,14,17)
InChIKeyICLVAOIGZAKEQP-UHFFFAOYSA-N
XLogP2.15
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine?
The IUPAC name of 5-N-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine (CID 25212512) is 5-N-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine.
What is the SMILES notation for 5-N-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine?
The canonical SMILES for 5-N-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine is CC(C)Nc1cc(C(F)(F)F)cc2nc(N)nn12.
What is the InChIKey of 5-N-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine?
The InChIKey is ICLVAOIGZAKEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5/c1-5(2)15-7-3-6(10(11,12)13)4-8-16-9(14)17-18(7)8/h3-5,15H,1-2H3,(H2,14,17).
What are the key properties of 5-N-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine?
5-N-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine has a molecular weight of 259.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine is sourced from PubChem (CID 25212512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).