3-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea

C15H18N6O2 — CID 112532228

IUPAC3-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1cnn(CC(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C15H18N6O2/c1-19(2)15(23)17-13-9-16-21(18-13)10-14(22)20-8-7-11-5-3-4-6-12(11)20/h3-6,9H,7-8,10H2,1-2H3,(H,17,18,23)
InChIKeyJSGXVLKOSACUKK-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.96
Rot. Bonds3

About 3-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea

3-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea (PubChem CID 112532228) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea
PubChem CID112532228
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name3-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1cnn(CC(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C15H18N6O2/c1-19(2)15(23)17-13-9-16-21(18-13)10-14(22)20-8-7-11-5-3-4-6-12(11)20/h3-6,9H,7-8,10H2,1-2H3,(H,17,18,23)
InChIKeyJSGXVLKOSACUKK-UHFFFAOYSA-N
XLogP0.96
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dihydroindol-1-yl)-N-methyl-3-oxo-N-phenylpropanamide
CID 108953153
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
CID 3245732
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 7589240
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 55061280
2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylpropanamide
CID 87017413
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 62059098
2-(benzimidazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 4171967
N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
CID 112532191

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea (CID 112532228) is 3-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea is CN(C)C(=O)Nc1cnn(CC(=O)N2CCc3ccccc32)n1.
What is the InChIKey of 3-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea?
The InChIKey is JSGXVLKOSACUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-19(2)15(23)17-13-9-16-21(18-13)10-14(22)20-8-7-11-5-3-4-6-12(11)20/h3-6,9H,7-8,10H2,1-2H3,(H,17,18,23).
What are the key properties of 3-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea?
3-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea has a molecular weight of 314.35 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea is sourced from PubChem (CID 112532228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).