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

C14H15N5O — CID 103716224

IUPAC2-(1H-indol-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1c[nH]c2ccccc12)c1ncn[nH]1
InChIInChI=1S/C14H15N5O/c1-9(14-16-8-17-19-14)18-13(20)6-10-7-15-12-5-3-2-4-11(10)12/h2-5,7-9,15H,6H2,1H3,(H,18,20)(H,16,17,19)
InChIKeyQLLXCLUFUQLAKN-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.71
Rot. Bonds4

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

2-(1H-indol-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (PubChem CID 103716224) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
PubChem CID103716224
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-(1H-indol-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1c[nH]c2ccccc12)c1ncn[nH]1
InChIInChI=1S/C14H15N5O/c1-9(14-16-8-17-19-14)18-13(20)6-10-7-15-12-5-3-2-4-11(10)12/h2-5,7-9,15H,6H2,1H3,(H,18,20)(H,16,17,19)
InChIKeyQLLXCLUFUQLAKN-UHFFFAOYSA-N
XLogP1.71
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17427007
2-(1H-indol-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 63612745
2-(1H-indol-3-yl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 40810685
N-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide
CID 114389821
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 51077850
N-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 51150393
(2S,3S)-3-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]butanoate
CID 7678364
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60983559
N-(1-ethoxypropan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 47903557
2-(1H-indol-3-yl)-N-(4-methylsulfinylbutan-2-yl)acetamide
CID 115667804
2-(1H-indol-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 78813976

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (CID 103716224) is 2-(1H-indol-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is CC(NC(=O)Cc1c[nH]c2ccccc12)c1ncn[nH]1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The InChIKey is QLLXCLUFUQLAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-9(14-16-8-17-19-14)18-13(20)6-10-7-15-12-5-3-2-4-11(10)12/h2-5,7-9,15H,6H2,1H3,(H,18,20)(H,16,17,19).
What are the key properties of 2-(1H-indol-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
2-(1H-indol-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide has a molecular weight of 269.31 g/mol, XLogP of 1.71, 4 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-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 103716224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).