5-ethyl-N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,3-dihydroindole-1-carboxamide

C17H18N6O2 — CID 154785629

IUPAC5-ethyl-N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,3-dihydroindole-1-carboxamide
SMILESCCc1ccc2c(c1)CCN2C(=O)NCc1nnc2c(=O)[nH]ccn12
InChIInChI=1S/C17H18N6O2/c1-2-11-3-4-13-12(9-11)5-7-22(13)17(25)19-10-14-20-21-15-16(24)18-6-8-23(14)15/h3-4,6,8-9H,2,5,7,10H2,1H3,(H,18,24)(H,19,25)
InChIKeyWYLFMXOQMLPAAT-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.25
Rot. Bonds3

About 5-ethyl-N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,3-dihydroindole-1-carboxamide

5-ethyl-N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 154785629) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-ethyl-N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,3-dihydroindole-1-carboxamide
PubChem CID154785629
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name5-ethyl-N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,3-dihydroindole-1-carboxamide
SMILESCCc1ccc2c(c1)CCN2C(=O)NCc1nnc2c(=O)[nH]ccn12
InChIInChI=1S/C17H18N6O2/c1-2-11-3-4-13-12(9-11)5-7-22(13)17(25)19-10-14-20-21-15-16(24)18-6-8-23(14)15/h3-4,6,8-9H,2,5,7,10H2,1H3,(H,18,24)(H,19,25)
InChIKeyWYLFMXOQMLPAAT-UHFFFAOYSA-N
XLogP1.25
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,3-dihydroindole-1-carboxamide with MolForge

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Related Compounds

1-(5-ethyl-2,3-dihydroindol-1-yl)-2-[4-(1-hydroxyethyl)triazol-1-yl]ethanone
CID 166257111
N-benzyl-5-fluoro-2,3-dihydroindole-1-carboxamide
CID 110747443
5-fluoro-N-(1H-indol-7-ylmethyl)-2,3-dihydroindole-1-carboxamide
CID 167942706
4-[[(5,6-dimethyl-2,3-dihydroindole-1-carbonyl)amino]methyl]benzoic acid
CID 122020416
1-[5-(2-aminobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 82259757
1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea
CID 53090025
3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 53093588
(2S)-2-chloro-1-[5-(hydroxymethyl)-2,3-dihydroindol-1-yl]butan-1-one
CID 129496134
1-[(2R)-butan-2-yl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea
CID 95074914
1-(2-methylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
CID 62691645
N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide
CID 53093528
1-[5-(2-bromobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 82259297

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-ethyl-N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,3-dihydroindole-1-carboxamide (CID 154785629) is 5-ethyl-N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-ethyl-N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,3-dihydroindole-1-carboxamide is CCc1ccc2c(c1)CCN2C(=O)NCc1nnc2c(=O)[nH]ccn12.
What is the InChIKey of 5-ethyl-N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is WYLFMXOQMLPAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-2-11-3-4-13-12(9-11)5-7-22(13)17(25)19-10-14-20-21-15-16(24)18-6-8-23(14)15/h3-4,6,8-9H,2,5,7,10H2,1H3,(H,18,24)(H,19,25).
What are the key properties of 5-ethyl-N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,3-dihydroindole-1-carboxamide?
5-ethyl-N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 154785629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).