N-benzyl-5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine

C23H20N6 — CID 68987401

IUPACN-benzyl-5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine
SMILESc1ccc(CNc2n[nH]c3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1
InChIInChI=1S/C23H20N6/c1-3-7-17(8-4-1)14-24-23-20-13-19(11-12-21(20)25-27-23)22-16-29(28-26-22)15-18-9-5-2-6-10-18/h1-13,16H,14-15H2,(H2,24,25,27)
InChIKeyBVINQNIBFNAFME-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.48
Rot. Bonds6

About N-benzyl-5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine

N-benzyl-5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine (PubChem CID 68987401) has the molecular formula C23H20N6 and a molecular weight of 380.46 g/mol. Its IUPAC name is N-benzyl-5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine.

Molecular Properties

Compound NameN-benzyl-5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine
PubChem CID68987401
Molecular FormulaC23H20N6
Molecular Weight380.46 g/mol
Exact Mass380.17
IUPAC NameN-benzyl-5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine
SMILESc1ccc(CNc2n[nH]c3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1
InChIInChI=1S/C23H20N6/c1-3-7-17(8-4-1)14-24-23-20-13-19(11-12-21(20)25-27-23)22-16-29(28-26-22)15-18-9-5-2-6-10-18/h1-13,16H,14-15H2,(H2,24,25,27)
InChIKeyBVINQNIBFNAFME-UHFFFAOYSA-N
XLogP4.48
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-benzyl-5-(1-benzyltriazol-4-yl)-1H-indazol-3-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-benzyl-5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine?
The IUPAC name of N-benzyl-5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine (CID 68987401) is N-benzyl-5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine.
What is the SMILES notation for N-benzyl-5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine?
The canonical SMILES for N-benzyl-5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine is c1ccc(CNc2n[nH]c3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1.
What is the InChIKey of N-benzyl-5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine?
The InChIKey is BVINQNIBFNAFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6/c1-3-7-17(8-4-1)14-24-23-20-13-19(11-12-21(20)25-27-23)22-16-29(28-26-22)15-18-9-5-2-6-10-18/h1-13,16H,14-15H2,(H2,24,25,27).
What are the key properties of N-benzyl-5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine?
N-benzyl-5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine has a molecular weight of 380.46 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine is sourced from PubChem (CID 68987401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).