4-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine

C13H11Cl2N7O — CID 134138018

IUPAC4-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine
SMILESClc1ccc(-c2nnc3nnc(N4CCOCC4)nn23)c(Cl)c1
InChIInChI=1S/C13H11Cl2N7O/c14-8-1-2-9(10(15)7-8)11-16-17-12-18-19-13(20-22(11)12)21-3-5-23-6-4-21/h1-2,7H,3-6H2
InChIKeyUZXZOGIXKBBECY-UHFFFAOYSA-N
MW352.19 g/mol
LogP1.72
Rot. Bonds2

About 4-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine

4-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine (PubChem CID 134138018) has the molecular formula C13H11Cl2N7O and a molecular weight of 352.19 g/mol. Its IUPAC name is 4-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine.

Molecular Properties

Compound Name4-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine
PubChem CID134138018
Molecular FormulaC13H11Cl2N7O
Molecular Weight352.19 g/mol
Exact Mass351.04
IUPAC Name4-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine
SMILESClc1ccc(-c2nnc3nnc(N4CCOCC4)nn23)c(Cl)c1
InChIInChI=1S/C13H11Cl2N7O/c14-8-1-2-9(10(15)7-8)11-16-17-12-18-19-13(20-22(11)12)21-3-5-23-6-4-21/h1-2,7H,3-6H2
InChIKeyUZXZOGIXKBBECY-UHFFFAOYSA-N
XLogP1.72
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine 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 4-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine?
The IUPAC name of 4-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine (CID 134138018) is 4-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine.
What is the SMILES notation for 4-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine?
The canonical SMILES for 4-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine is Clc1ccc(-c2nnc3nnc(N4CCOCC4)nn23)c(Cl)c1.
What is the InChIKey of 4-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine?
The InChIKey is UZXZOGIXKBBECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N7O/c14-8-1-2-9(10(15)7-8)11-16-17-12-18-19-13(20-22(11)12)21-3-5-23-6-4-21/h1-2,7H,3-6H2.
What are the key properties of 4-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine?
4-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine has a molecular weight of 352.19 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine is sourced from PubChem (CID 134138018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).