2-(1H-indol-3-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide

C15H17N5O — CID 64517617

IUPAC2-(1H-indol-3-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCCCc1ncn[nH]1
InChIInChI=1S/C15H17N5O/c21-15(16-7-3-6-14-18-10-19-20-14)8-11-9-17-13-5-2-1-4-12(11)13/h1-2,4-5,9-10,17H,3,6-8H2,(H,16,21)(H,18,19,20)
InChIKeySNGPSJJNWSUULL-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.58
Rot. Bonds6

About 2-(1H-indol-3-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide

2-(1H-indol-3-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide (PubChem CID 64517617) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
PubChem CID64517617
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name2-(1H-indol-3-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCCCc1ncn[nH]1
InChIInChI=1S/C15H17N5O/c21-15(16-7-3-6-14-18-10-19-20-14)8-11-9-17-13-5-2-1-4-12(11)13/h1-2,4-5,9-10,17H,3,6-8H2,(H,16,21)(H,18,19,20)
InChIKeySNGPSJJNWSUULL-UHFFFAOYSA-N
XLogP1.58
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1H-indol-3-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide 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 2-(1H-indol-3-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide (CID 64517617) is 2-(1H-indol-3-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide is O=C(Cc1c[nH]c2ccccc12)NCCCc1ncn[nH]1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide?
The InChIKey is SNGPSJJNWSUULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c21-15(16-7-3-6-14-18-10-19-20-14)8-11-9-17-13-5-2-1-4-12(11)13/h1-2,4-5,9-10,17H,3,6-8H2,(H,16,21)(H,18,19,20).
What are the key properties of 2-(1H-indol-3-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide?
2-(1H-indol-3-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide has a molecular weight of 283.33 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide is sourced from PubChem (CID 64517617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).