5-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C22H19N7O — CID 44624494

IUPAC5-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(-c2cccc3nc(Nc4ccc(Cn5cncn5)cc4)nn23)cc1
InChIInChI=1S/C22H19N7O/c1-30-19-11-7-17(8-12-19)20-3-2-4-21-26-22(27-29(20)21)25-18-9-5-16(6-10-18)13-28-15-23-14-24-28/h2-12,14-15H,13H2,1H3,(H,25,27)
InChIKeyFJMTUMLYPPIJNT-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.79
Rot. Bonds6

About 5-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 44624494) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID44624494
Molecular FormulaC22H19N7O
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC Name5-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(-c2cccc3nc(Nc4ccc(Cn5cncn5)cc4)nn23)cc1
InChIInChI=1S/C22H19N7O/c1-30-19-11-7-17(8-12-19)20-3-2-4-21-26-22(27-29(20)21)25-18-9-5-16(6-10-18)13-28-15-23-14-24-28/h2-12,14-15H,13H2,1H3,(H,25,27)
InChIKeyFJMTUMLYPPIJNT-UHFFFAOYSA-N
XLogP3.79
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine 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 5-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 44624494) is 5-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1ccc(-c2cccc3nc(Nc4ccc(Cn5cncn5)cc4)nn23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is FJMTUMLYPPIJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c1-30-19-11-7-17(8-12-19)20-3-2-4-21-26-22(27-29(20)21)25-18-9-5-16(6-10-18)13-28-15-23-14-24-28/h2-12,14-15H,13H2,1H3,(H,25,27).
What are the key properties of 5-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 397.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 44624494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).