2-[4-(3-aminopropyl)triazol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone

C15H19N5O — CID 106221203

IUPAC2-[4-(3-aminopropyl)triazol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESNCCCc1cn(CC(=O)N2CCc3ccccc32)nn1
InChIInChI=1S/C15H19N5O/c16-8-3-5-13-10-19(18-17-13)11-15(21)20-9-7-12-4-1-2-6-14(12)20/h1-2,4,6,10H,3,5,7-9,11,16H2
InChIKeyXLJOOVUJIFPCEW-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.76
Rot. Bonds5

About 2-[4-(3-aminopropyl)triazol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone

2-[4-(3-aminopropyl)triazol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 106221203) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[4-(3-aminopropyl)triazol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(3-aminopropyl)triazol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID106221203
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-[4-(3-aminopropyl)triazol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESNCCCc1cn(CC(=O)N2CCc3ccccc32)nn1
InChIInChI=1S/C15H19N5O/c16-8-3-5-13-10-19(18-17-13)11-15(21)20-9-7-12-4-1-2-6-14(12)20/h1-2,4,6,10H,3,5,7-9,11,16H2
InChIKeyXLJOOVUJIFPCEW-UHFFFAOYSA-N
XLogP0.76
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 62059098
2-[4-(1-aminopropyl)triazol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 106228324
N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
CID 112532191
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-hydroxyethyl)triazol-1-yl]ethanone
CID 80736020
2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 81493095
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine
CID 110930545
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
CID 112532196
1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
CID 3245732
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
1-(2,3-dihydroindol-1-yl)-3-pyridin-2-ylpropan-1-one
CID 110389221

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropyl)triazol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[4-(3-aminopropyl)triazol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone (CID 106221203) is 2-[4-(3-aminopropyl)triazol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[4-(3-aminopropyl)triazol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[4-(3-aminopropyl)triazol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone is NCCCc1cn(CC(=O)N2CCc3ccccc32)nn1.
What is the InChIKey of 2-[4-(3-aminopropyl)triazol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is XLJOOVUJIFPCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c16-8-3-5-13-10-19(18-17-13)11-15(21)20-9-7-12-4-1-2-6-14(12)20/h1-2,4,6,10H,3,5,7-9,11,16H2.
What are the key properties of 2-[4-(3-aminopropyl)triazol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
2-[4-(3-aminopropyl)triazol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 285.35 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropyl)triazol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 106221203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).