N-(1,2-dipyridin-2-ylethyl)-5-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C22H18N8 — CID 167854794

IUPACN-(1,2-dipyridin-2-ylethyl)-5-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(CC(Nc2cc(-c3cccnc3)nc3ncnn23)c2ccccn2)nc1
InChIInChI=1S/C22H18N8/c1-3-10-24-17(7-1)12-20(18-8-2-4-11-25-18)28-21-13-19(16-6-5-9-23-14-16)29-22-26-15-27-30(21)22/h1-11,13-15,20,28H,12H2
InChIKeyUYJKROFRGPUIJF-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.37
Rot. Bonds6

About N-(1,2-dipyridin-2-ylethyl)-5-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(1,2-dipyridin-2-ylethyl)-5-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 167854794) has the molecular formula C22H18N8 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-(1,2-dipyridin-2-ylethyl)-5-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(1,2-dipyridin-2-ylethyl)-5-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID167854794
Molecular FormulaC22H18N8
Molecular Weight394.44 g/mol
Exact Mass394.17
IUPAC NameN-(1,2-dipyridin-2-ylethyl)-5-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(CC(Nc2cc(-c3cccnc3)nc3ncnn23)c2ccccn2)nc1
InChIInChI=1S/C22H18N8/c1-3-10-24-17(7-1)12-20(18-8-2-4-11-25-18)28-21-13-19(16-6-5-9-23-14-16)29-22-26-15-27-30(21)22/h1-11,13-15,20,28H,12H2
InChIKeyUYJKROFRGPUIJF-UHFFFAOYSA-N
XLogP3.37
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(1,2-dipyridin-2-ylethyl)-5-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-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 N-(1,2-dipyridin-2-ylethyl)-5-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(1,2-dipyridin-2-ylethyl)-5-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 167854794) is N-(1,2-dipyridin-2-ylethyl)-5-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(1,2-dipyridin-2-ylethyl)-5-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(1,2-dipyridin-2-ylethyl)-5-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is c1ccc(CC(Nc2cc(-c3cccnc3)nc3ncnn23)c2ccccn2)nc1.
What is the InChIKey of N-(1,2-dipyridin-2-ylethyl)-5-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UYJKROFRGPUIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N8/c1-3-10-24-17(7-1)12-20(18-8-2-4-11-25-18)28-21-13-19(16-6-5-9-23-14-16)29-22-26-15-27-30(21)22/h1-11,13-15,20,28H,12H2.
What are the key properties of N-(1,2-dipyridin-2-ylethyl)-5-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(1,2-dipyridin-2-ylethyl)-5-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 394.44 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dipyridin-2-ylethyl)-5-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 167854794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).