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

C15H17N5O — CID 137210279

IUPACN-[3-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propyl]acetamide
SMILESCC(=O)NCCCc1nc(-c2c[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C15H17N5O/c1-10(21)16-8-4-7-14-18-15(20-19-14)12-9-17-13-6-3-2-5-11(12)13/h2-3,5-6,9,17H,4,7-8H2,1H3,(H,16,21)(H,18,19,20)
InChIKeyUWULEEZOYHPMMB-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.02
Rot. Bonds5

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

N-[3-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propyl]acetamide (PubChem CID 137210279) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[3-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propyl]acetamide
PubChem CID137210279
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC NameN-[3-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propyl]acetamide
SMILESCC(=O)NCCCc1nc(-c2c[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C15H17N5O/c1-10(21)16-8-4-7-14-18-15(20-19-14)12-9-17-13-6-3-2-5-11(12)13/h2-3,5-6,9,17H,4,7-8H2,1H3,(H,16,21)(H,18,19,20)
InChIKeyUWULEEZOYHPMMB-UHFFFAOYSA-N
XLogP2.02
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Rizatriptan
CID 5078
L-741604
CID 9881526
N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 24798741
N-[(1R)-1-{4-[(4-ethylphenyl)methyl]-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}-2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 16113248
(R)-N-(1-(5-(2-(1H-indol-3-yl)ethyl)-4-benzyl-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-amino-2-methylpropanamide
CID 16113691
N-[(1R)-1-{4-benzyl-5-[2-(1H-indol-3-yl)ethyl]-4H-1,2,4-triazol-3-yl}-2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 16113710
N-[(1R)-1-{4-benzyl-5-[2-(1H-indol-3-yl)ethyl]-4H-1,2,4-triazol-3-yl}-2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 16114514
2-amino-N-[(1R)-1-{4-[(4-ethylphenyl)methyl]-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}-2-(1H-indol-3-yl)ethyl]acetamide
CID 23648232
(3S)-N-[(1R)-1-{4-[(4-ethylphenyl)methyl]-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}-2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 23648246
N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(1H-indol-3-yl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}ethyl]piperidine-4-carboxamide
CID 23648249
1-Tert-Butyl-3-[(1h-Indol-3-Yl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 129316173
N-{4-[(Methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ylmethyl}-amino)-methyl]-phenyl}-acetamide
CID 10577311

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propyl]acetamide?
The IUPAC name of N-[3-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propyl]acetamide (CID 137210279) is N-[3-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propyl]acetamide.
What is the SMILES notation for N-[3-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propyl]acetamide?
The canonical SMILES for N-[3-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propyl]acetamide is CC(=O)NCCCc1nc(-c2c[nH]c3ccccc23)n[nH]1.
What is the InChIKey of N-[3-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propyl]acetamide?
The InChIKey is UWULEEZOYHPMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-10(21)16-8-4-7-14-18-15(20-19-14)12-9-17-13-6-3-2-5-11(12)13/h2-3,5-6,9,17H,4,7-8H2,1H3,(H,16,21)(H,18,19,20).
What are the key properties of N-[3-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propyl]acetamide?
N-[3-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propyl]acetamide has a molecular weight of 283.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propyl]acetamide is sourced from PubChem (CID 137210279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).