7-N-benzyl-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine

C13H13N5 — CID 82555742

IUPAC7-N-benzyl-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine
SMILESNc1nc2cc(NCc3ccccc3)ccn2n1
InChIInChI=1S/C13H13N5/c14-13-16-12-8-11(6-7-18(12)17-13)15-9-10-4-2-1-3-5-10/h1-8,15H,9H2,(H2,14,17)
InChIKeyWWARWKZHIQNOKB-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.92
Rot. Bonds3

About 7-N-benzyl-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine

7-N-benzyl-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine (PubChem CID 82555742) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 7-N-benzyl-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine.

Molecular Properties

Compound Name7-N-benzyl-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine
PubChem CID82555742
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name7-N-benzyl-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine
SMILESNc1nc2cc(NCc3ccccc3)ccn2n1
InChIInChI=1S/C13H13N5/c14-13-16-12-8-11(6-7-18(12)17-13)15-9-10-4-2-1-3-5-10/h1-8,15H,9H2,(H2,14,17)
InChIKeyWWARWKZHIQNOKB-UHFFFAOYSA-N
XLogP1.92
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-N-benzyl-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine?
The IUPAC name of 7-N-benzyl-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine (CID 82555742) is 7-N-benzyl-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine.
What is the SMILES notation for 7-N-benzyl-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine?
The canonical SMILES for 7-N-benzyl-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine is Nc1nc2cc(NCc3ccccc3)ccn2n1.
What is the InChIKey of 7-N-benzyl-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine?
The InChIKey is WWARWKZHIQNOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c14-13-16-12-8-11(6-7-18(12)17-13)15-9-10-4-2-1-3-5-10/h1-8,15H,9H2,(H2,14,17).
What are the key properties of 7-N-benzyl-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine?
7-N-benzyl-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine has a molecular weight of 239.28 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-benzyl-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine is sourced from PubChem (CID 82555742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).