N-ethyl-N,1-diphenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine

C24H21N5 — CID 3076966

IUPACN-ethyl-N,1-diphenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
SMILESCCN(C1=Nc2ccccc2-n2c(nnc2-c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C24H21N5/c1-2-28(19-13-7-4-8-14-19)22-17-23-26-27-24(18-11-5-3-6-12-18)29(23)21-16-10-9-15-20(21)25-22/h3-16H,2,17H2,1H3
InChIKeyUEQBCKHDSBUCLS-UHFFFAOYSA-N
MW379.47 g/mol
LogP5.05
Rot. Bonds3

About N-ethyl-N,1-diphenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine

N-ethyl-N,1-diphenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine (PubChem CID 3076966) has the molecular formula C24H21N5 and a molecular weight of 379.47 g/mol. Its IUPAC name is N-ethyl-N,1-diphenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine.

Molecular Properties

Compound NameN-ethyl-N,1-diphenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
PubChem CID3076966
Molecular FormulaC24H21N5
Molecular Weight379.47 g/mol
Exact Mass379.18
IUPAC NameN-ethyl-N,1-diphenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
SMILESCCN(C1=Nc2ccccc2-n2c(nnc2-c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C24H21N5/c1-2-28(19-13-7-4-8-14-19)22-17-23-26-27-24(18-11-5-3-6-12-18)29(23)21-16-10-9-15-20(21)25-22/h3-16H,2,17H2,1H3
InChIKeyUEQBCKHDSBUCLS-UHFFFAOYSA-N
XLogP5.05
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.47
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-ethyl-N,1-diphenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,1-diphenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine?
The IUPAC name of N-ethyl-N,1-diphenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine (CID 3076966) is N-ethyl-N,1-diphenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine.
What is the SMILES notation for N-ethyl-N,1-diphenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine?
The canonical SMILES for N-ethyl-N,1-diphenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine is CCN(C1=Nc2ccccc2-n2c(nnc2-c2ccccc2)C1)c1ccccc1.
What is the InChIKey of N-ethyl-N,1-diphenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine?
The InChIKey is UEQBCKHDSBUCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5/c1-2-28(19-13-7-4-8-14-19)22-17-23-26-27-24(18-11-5-3-6-12-18)29(23)21-16-10-9-15-20(21)25-22/h3-16H,2,17H2,1H3.
What are the key properties of N-ethyl-N,1-diphenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine?
N-ethyl-N,1-diphenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine has a molecular weight of 379.47 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,1-diphenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine is sourced from PubChem (CID 3076966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).