6-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)quinoline-2,6-diamine

C21H16N6 — CID 59276286

IUPAC6-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)quinoline-2,6-diamine
SMILESNc1ccc2cc(Nc3nc4cccc(-c5ccccc5)n4n3)ccc2n1
InChIInChI=1S/C21H16N6/c22-19-12-9-15-13-16(10-11-17(15)24-19)23-21-25-20-8-4-7-18(27(20)26-21)14-5-2-1-3-6-14/h1-13H,(H2,22,24)(H,23,26)
InChIKeyGGVMMHKIQXQUBO-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.27
Rot. Bonds3

About 6-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)quinoline-2,6-diamine

6-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)quinoline-2,6-diamine (PubChem CID 59276286) has the molecular formula C21H16N6 and a molecular weight of 352.40 g/mol. Its IUPAC name is 6-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)quinoline-2,6-diamine.

Molecular Properties

Compound Name6-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)quinoline-2,6-diamine
PubChem CID59276286
Molecular FormulaC21H16N6
Molecular Weight352.40 g/mol
Exact Mass352.14
IUPAC Name6-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)quinoline-2,6-diamine
SMILESNc1ccc2cc(Nc3nc4cccc(-c5ccccc5)n4n3)ccc2n1
InChIInChI=1S/C21H16N6/c22-19-12-9-15-13-16(10-11-17(15)24-19)23-21-25-20-8-4-7-18(27(20)26-21)14-5-2-1-3-6-14/h1-13H,(H2,22,24)(H,23,26)
InChIKeyGGVMMHKIQXQUBO-UHFFFAOYSA-N
XLogP4.27
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)quinoline-2,6-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 6-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)quinoline-2,6-diamine?
The IUPAC name of 6-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)quinoline-2,6-diamine (CID 59276286) is 6-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)quinoline-2,6-diamine.
What is the SMILES notation for 6-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)quinoline-2,6-diamine?
The canonical SMILES for 6-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)quinoline-2,6-diamine is Nc1ccc2cc(Nc3nc4cccc(-c5ccccc5)n4n3)ccc2n1.
What is the InChIKey of 6-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)quinoline-2,6-diamine?
The InChIKey is GGVMMHKIQXQUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6/c22-19-12-9-15-13-16(10-11-17(15)24-19)23-21-25-20-8-4-7-18(27(20)26-21)14-5-2-1-3-6-14/h1-13H,(H2,22,24)(H,23,26).
What are the key properties of 6-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)quinoline-2,6-diamine?
6-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)quinoline-2,6-diamine has a molecular weight of 352.40 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)quinoline-2,6-diamine is sourced from PubChem (CID 59276286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).