N'-ethyl-N'-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)propane-1,3-diamine

C26H26N6 — CID 20880263

IUPACN'-ethyl-N'-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)propane-1,3-diamine
SMILESCCN(CCCNc1nc2ccccc2c2nc(-c3ccccc3)nn12)c1ccccc1
InChIInChI=1S/C26H26N6/c1-2-31(21-14-7-4-8-15-21)19-11-18-27-26-28-23-17-10-9-16-22(23)25-29-24(30-32(25)26)20-12-5-3-6-13-20/h3-10,12-17H,2,11,18-19H2,1H3,(H,27,28)
InChIKeyGPSSUGZBGAWGQX-UHFFFAOYSA-N
MW422.54 g/mol
LogP5.27
Rot. Bonds8

About N'-ethyl-N'-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)propane-1,3-diamine

N'-ethyl-N'-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)propane-1,3-diamine (PubChem CID 20880263) has the molecular formula C26H26N6 and a molecular weight of 422.54 g/mol. Its IUPAC name is N'-ethyl-N'-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)propane-1,3-diamine
PubChem CID20880263
Molecular FormulaC26H26N6
Molecular Weight422.54 g/mol
Exact Mass422.22
IUPAC NameN'-ethyl-N'-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)propane-1,3-diamine
SMILESCCN(CCCNc1nc2ccccc2c2nc(-c3ccccc3)nn12)c1ccccc1
InChIInChI=1S/C26H26N6/c1-2-31(21-14-7-4-8-15-21)19-11-18-27-26-28-23-17-10-9-16-22(23)25-29-24(30-32(25)26)20-12-5-3-6-13-20/h3-10,12-17H,2,11,18-19H2,1H3,(H,27,28)
InChIKeyGPSSUGZBGAWGQX-UHFFFAOYSA-N
XLogP5.27
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.54
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-ethyl-N'-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)propane-1,3-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 N'-ethyl-N'-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)propane-1,3-diamine (CID 20880263) is N'-ethyl-N'-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)propane-1,3-diamine is CCN(CCCNc1nc2ccccc2c2nc(-c3ccccc3)nn12)c1ccccc1.
What is the InChIKey of N'-ethyl-N'-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)propane-1,3-diamine?
The InChIKey is GPSSUGZBGAWGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6/c1-2-31(21-14-7-4-8-15-21)19-11-18-27-26-28-23-17-10-9-16-22(23)25-29-24(30-32(25)26)20-12-5-3-6-13-20/h3-10,12-17H,2,11,18-19H2,1H3,(H,27,28).
What are the key properties of N'-ethyl-N'-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)propane-1,3-diamine?
N'-ethyl-N'-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)propane-1,3-diamine has a molecular weight of 422.54 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)propane-1,3-diamine is sourced from PubChem (CID 20880263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).