3,6-ditrityltriazolo[4,5-b]pyridin-5-amine

C43H33N5 — CID 126649422

IUPAC3,6-ditrityltriazolo[4,5-b]pyridin-5-amine
SMILESNc1nc2c(cc1C(c1ccccc1)(c1ccccc1)c1ccccc1)nnn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H33N5/c44-40-38(42(32-19-7-1-8-20-32,33-21-9-2-10-22-33)34-23-11-3-12-24-34)31-39-41(45-40)48(47-46-39)43(35-25-13-4-14-26-35,36-27-15-5-16-28-36)37-29-17-6-18-30-37/h1-31H,(H2,44,45)
InChIKeyTWTREKXELLZMGM-UHFFFAOYSA-N
MW619.77 g/mol
LogP8.63
Rot. Bonds8

About 3,6-ditrityltriazolo[4,5-b]pyridin-5-amine

3,6-ditrityltriazolo[4,5-b]pyridin-5-amine (PubChem CID 126649422) has the molecular formula C43H33N5 and a molecular weight of 619.77 g/mol. Its IUPAC name is 3,6-ditrityltriazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name3,6-ditrityltriazolo[4,5-b]pyridin-5-amine
PubChem CID126649422
Molecular FormulaC43H33N5
Molecular Weight619.77 g/mol
Exact Mass619.27
IUPAC Name3,6-ditrityltriazolo[4,5-b]pyridin-5-amine
SMILESNc1nc2c(cc1C(c1ccccc1)(c1ccccc1)c1ccccc1)nnn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H33N5/c44-40-38(42(32-19-7-1-8-20-32,33-21-9-2-10-22-33)34-23-11-3-12-24-34)31-39-41(45-40)48(47-46-39)43(35-25-13-4-14-26-35,36-27-15-5-16-28-36)37-29-17-6-18-30-37/h1-31H,(H2,44,45)
InChIKeyTWTREKXELLZMGM-UHFFFAOYSA-N
XLogP8.63
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.77
LogP ≤ 58.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 3,6-ditrityltriazolo[4,5-b]pyridin-5-amine with MolForge

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

Launch Full Analysis

Related Compounds

5,7-diphenyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine
CID 16109428
2,6-Diphenyl-8-(1-ethylpropyl)-1-deazapurine
CID 16109429
2-cyclohexyl-5,7-di(phenyl)-1H-imidazo[4,5-b]pyridine
CID 16109435
2-(2-methylpropyl)-5,7-diphenyl-1H-imidazo[4,5-b]pyridine
CID 44418996
7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702630
2,6-Diphenyl-8-methyl-1-deazapurine
CID 16109426
2,6-Dphenyl-8-propyl-1-deazapurine
CID 16109427
2,6-diphenyl-8-tButyl-1-deazapurine
CID 16109434
Mpo-IN-4
CID 126650041
7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 130450939
7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702628
2,6-Diphenyl-8-ethyl-1-deazapurine
CID 16109432

Frequently Asked Questions

What is the IUPAC name of 3,6-ditrityltriazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 3,6-ditrityltriazolo[4,5-b]pyridin-5-amine (CID 126649422) is 3,6-ditrityltriazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 3,6-ditrityltriazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 3,6-ditrityltriazolo[4,5-b]pyridin-5-amine is Nc1nc2c(cc1C(c1ccccc1)(c1ccccc1)c1ccccc1)nnn2C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,6-ditrityltriazolo[4,5-b]pyridin-5-amine?
The InChIKey is TWTREKXELLZMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N5/c44-40-38(42(32-19-7-1-8-20-32,33-21-9-2-10-22-33)34-23-11-3-12-24-34)31-39-41(45-40)48(47-46-39)43(35-25-13-4-14-26-35,36-27-15-5-16-28-36)37-29-17-6-18-30-37/h1-31H,(H2,44,45).
What are the key properties of 3,6-ditrityltriazolo[4,5-b]pyridin-5-amine?
3,6-ditrityltriazolo[4,5-b]pyridin-5-amine has a molecular weight of 619.77 g/mol, XLogP of 8.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditrityltriazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126649422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).