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

C23H26N6 — CID 68990391

IUPAC5-(1-benzyltriazol-4-yl)-N-(cyclohexylmethyl)-1H-indazol-3-amine
SMILESc1ccc(Cn2cc(-c3ccc4[nH]nc(NCC5CCCCC5)c4c3)nn2)cc1
InChIInChI=1S/C23H26N6/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/h2,5-6,9-13,16-17H,1,3-4,7-8,14-15H2,(H2,24,25,27)
InChIKeyZNSZOZRQERNGCI-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.86
Rot. Bonds6

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

5-(1-benzyltriazol-4-yl)-N-(cyclohexylmethyl)-1H-indazol-3-amine (PubChem CID 68990391) has the molecular formula C23H26N6 and a molecular weight of 386.50 g/mol. Its IUPAC name is 5-(1-benzyltriazol-4-yl)-N-(cyclohexylmethyl)-1H-indazol-3-amine.

Molecular Properties

Compound Name5-(1-benzyltriazol-4-yl)-N-(cyclohexylmethyl)-1H-indazol-3-amine
PubChem CID68990391
Molecular FormulaC23H26N6
Molecular Weight386.50 g/mol
Exact Mass386.22
IUPAC Name5-(1-benzyltriazol-4-yl)-N-(cyclohexylmethyl)-1H-indazol-3-amine
SMILESc1ccc(Cn2cc(-c3ccc4[nH]nc(NCC5CCCCC5)c4c3)nn2)cc1
InChIInChI=1S/C23H26N6/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/h2,5-6,9-13,16-17H,1,3-4,7-8,14-15H2,(H2,24,25,27)
InChIKeyZNSZOZRQERNGCI-UHFFFAOYSA-N
XLogP4.86
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(1-benzyltriazol-4-yl)-N-(cyclohexylmethyl)-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 5-(1-benzyltriazol-4-yl)-N-(cyclohexylmethyl)-1H-indazol-3-amine?
The IUPAC name of 5-(1-benzyltriazol-4-yl)-N-(cyclohexylmethyl)-1H-indazol-3-amine (CID 68990391) is 5-(1-benzyltriazol-4-yl)-N-(cyclohexylmethyl)-1H-indazol-3-amine.
What is the SMILES notation for 5-(1-benzyltriazol-4-yl)-N-(cyclohexylmethyl)-1H-indazol-3-amine?
The canonical SMILES for 5-(1-benzyltriazol-4-yl)-N-(cyclohexylmethyl)-1H-indazol-3-amine is c1ccc(Cn2cc(-c3ccc4[nH]nc(NCC5CCCCC5)c4c3)nn2)cc1.
What is the InChIKey of 5-(1-benzyltriazol-4-yl)-N-(cyclohexylmethyl)-1H-indazol-3-amine?
The InChIKey is ZNSZOZRQERNGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6/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/h2,5-6,9-13,16-17H,1,3-4,7-8,14-15H2,(H2,24,25,27).
What are the key properties of 5-(1-benzyltriazol-4-yl)-N-(cyclohexylmethyl)-1H-indazol-3-amine?
5-(1-benzyltriazol-4-yl)-N-(cyclohexylmethyl)-1H-indazol-3-amine has a molecular weight of 386.50 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyltriazol-4-yl)-N-(cyclohexylmethyl)-1H-indazol-3-amine is sourced from PubChem (CID 68990391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).