3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide

C13H13N5O — CID 30866253

IUPAC3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1ncn[nH]1
InChIInChI=1S/C13H13N5O/c19-12(17-13-15-8-16-18-13)6-5-9-7-14-11-4-2-1-3-10(9)11/h1-4,7-8,14H,5-6H2,(H2,15,16,17,18,19)
InChIKeyMZZVMJNFRDSNDX-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.86
Rot. Bonds4

About 3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide

3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 30866253) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID30866253
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1ncn[nH]1
InChIInChI=1S/C13H13N5O/c19-12(17-13-15-8-16-18-13)6-5-9-7-14-11-4-2-1-3-10(9)11/h1-4,7-8,14H,5-6H2,(H2,15,16,17,18,19)
InChIKeyMZZVMJNFRDSNDX-UHFFFAOYSA-N
XLogP1.86
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide 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 3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 30866253) is 3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)Nc1ncn[nH]1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is MZZVMJNFRDSNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c19-12(17-13-15-8-16-18-13)6-5-9-7-14-11-4-2-1-3-10(9)11/h1-4,7-8,14H,5-6H2,(H2,15,16,17,18,19).
What are the key properties of 3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 255.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 30866253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).