2-phenyl-2-[2-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanamine

C25H31N7 — CID 67593643

IUPAC2-phenyl-2-[2-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanamine
SMILESNCC(c1ccccc1)N1CCNCC1CCCc1c[nH]c2ccc(-n3cnnc3)cc12
InChIInChI=1S/C25H31N7/c26-14-25(19-5-2-1-3-6-19)32-12-11-27-16-22(32)8-4-7-20-15-28-24-10-9-21(13-23(20)24)31-17-29-30-18-31/h1-3,5-6,9-10,13,15,17-18,22,25,27-28H,4,7-8,11-12,14,16,26H2
InChIKeyKWMJEQUWDMHQKI-UHFFFAOYSA-N
MW429.57 g/mol
LogP3.05
Rot. Bonds8

About 2-phenyl-2-[2-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanamine

2-phenyl-2-[2-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanamine (PubChem CID 67593643) has the molecular formula C25H31N7 and a molecular weight of 429.57 g/mol. Its IUPAC name is 2-phenyl-2-[2-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-phenyl-2-[2-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanamine
PubChem CID67593643
Molecular FormulaC25H31N7
Molecular Weight429.57 g/mol
Exact Mass429.26
IUPAC Name2-phenyl-2-[2-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanamine
SMILESNCC(c1ccccc1)N1CCNCC1CCCc1c[nH]c2ccc(-n3cnnc3)cc12
InChIInChI=1S/C25H31N7/c26-14-25(19-5-2-1-3-6-19)32-12-11-27-16-22(32)8-4-7-20-15-28-24-10-9-21(13-23(20)24)31-17-29-30-18-31/h1-3,5-6,9-10,13,15,17-18,22,25,27-28H,4,7-8,11-12,14,16,26H2
InChIKeyKWMJEQUWDMHQKI-UHFFFAOYSA-N
XLogP3.05
TPSA87.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-phenyl-2-[2-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyl-3-[2-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]propan-1-ol
CID 67594131
3-[3-[1-[1-(4-fluorophenyl)-2-imidazol-1-ylethyl]piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 67594740
3-[3-[1-(furan-3-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 67655065
3-[3-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 54217225
N-methyl-N-(2-phenylpropyl)-4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]cyclohexan-1-amine;oxalic acid
CID 20642431
methyl 2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]acetate
CID 10837583
methyl (2S)-2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]acetate
CID 67655103
(2R)-2-phenyl-2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]methylamino]ethanol
CID 10766321
N,N-dimethyl-2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]acetamide
CID 10719202
3-[3-(4-benzyl-3-methylpiperazin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 67690579
1-piperazin-1-yl-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol
CID 18975339
4-[[[(1R)-2-hydroxy-1-phenylethyl]-methylamino]methyl]-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-ol
CID 18665186

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[2-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanamine?
The IUPAC name of 2-phenyl-2-[2-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanamine (CID 67593643) is 2-phenyl-2-[2-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-phenyl-2-[2-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanamine?
The canonical SMILES for 2-phenyl-2-[2-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanamine is NCC(c1ccccc1)N1CCNCC1CCCc1c[nH]c2ccc(-n3cnnc3)cc12.
What is the InChIKey of 2-phenyl-2-[2-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanamine?
The InChIKey is KWMJEQUWDMHQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7/c26-14-25(19-5-2-1-3-6-19)32-12-11-27-16-22(32)8-4-7-20-15-28-24-10-9-21(13-23(20)24)31-17-29-30-18-31/h1-3,5-6,9-10,13,15,17-18,22,25,27-28H,4,7-8,11-12,14,16,26H2.
What are the key properties of 2-phenyl-2-[2-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanamine?
2-phenyl-2-[2-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanamine has a molecular weight of 429.57 g/mol, XLogP of 3.05, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[2-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 67593643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).