2-N-phenyl-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine

C12H11N5 — CID 110455114

IUPAC2-N-phenyl-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
SMILESNc1cccn2nc(Nc3ccccc3)nc12
InChIInChI=1S/C12H11N5/c13-10-7-4-8-17-11(10)15-12(16-17)14-9-5-2-1-3-6-9/h1-8H,13H2,(H,14,16)
InChIKeyIMGIEBUULRMJGS-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.06
Rot. Bonds2

About 2-N-phenyl-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine

2-N-phenyl-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine (PubChem CID 110455114) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-N-phenyl-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine.

Molecular Properties

Compound Name2-N-phenyl-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
PubChem CID110455114
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC Name2-N-phenyl-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
SMILESNc1cccn2nc(Nc3ccccc3)nc12
InChIInChI=1S/C12H11N5/c13-10-7-4-8-17-11(10)15-12(16-17)14-9-5-2-1-3-6-9/h1-8H,13H2,(H,14,16)
InChIKeyIMGIEBUULRMJGS-UHFFFAOYSA-N
XLogP2.06
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-phenyl-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-phenyl-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
The IUPAC name of 2-N-phenyl-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine (CID 110455114) is 2-N-phenyl-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine.
What is the SMILES notation for 2-N-phenyl-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
The canonical SMILES for 2-N-phenyl-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine is Nc1cccn2nc(Nc3ccccc3)nc12.
What is the InChIKey of 2-N-phenyl-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
The InChIKey is IMGIEBUULRMJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c13-10-7-4-8-17-11(10)15-12(16-17)14-9-5-2-1-3-6-9/h1-8H,13H2,(H,14,16).
What are the key properties of 2-N-phenyl-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
2-N-phenyl-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine has a molecular weight of 225.26 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-phenyl-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine is sourced from PubChem (CID 110455114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).