1-(2,3-dihydro-1H-indol-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone

C15H18N4O — CID 116597015

IUPAC1-(2,3-dihydro-1H-indol-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
SMILESCC(C)n1ncnc1CC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C15H18N4O/c1-10(2)19-15(16-9-17-19)8-14(20)13-7-11-5-3-4-6-12(11)18-13/h3-6,9-10,13,18H,7-8H2,1-2H3
InChIKeyGFESRWHVXMKFDS-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.01
Rot. Bonds4

About 1-(2,3-dihydro-1H-indol-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone

1-(2,3-dihydro-1H-indol-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone (PubChem CID 116597015) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
PubChem CID116597015
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-(2,3-dihydro-1H-indol-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
SMILESCC(C)n1ncnc1CC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C15H18N4O/c1-10(2)19-15(16-9-17-19)8-14(20)13-7-11-5-3-4-6-12(11)18-13/h3-6,9-10,13,18H,7-8H2,1-2H3
InChIKeyGFESRWHVXMKFDS-UHFFFAOYSA-N
XLogP2.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydro-1H-indol-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 53498267
1-acetyl-N-cyclopropyl-3-(1-propan-2-yl-1,2,4-triazol-3-yl)-2,3-dihydroindole-5-carboxamide
CID 118738973
N-(cyclopropylmethyl)-1-methyl-3-(1-propan-2-yl-1,2,4-triazol-3-yl)-2,3-dihydroindole-5-carboxamide
CID 118738976
N-cyclopentyl-1-methyl-3-(1-propan-2-yl-1,2,4-triazol-3-yl)-2,3-dihydroindole-5-carboxamide
CID 118738987
1-acetyl-N-propan-2-yl-3-(1-propan-2-yl-1,2,4-triazol-3-yl)-2,3-dihydroindole-5-carboxamide
CID 118738988
(3R)-1-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxospiro[indole-3,3'-piperidine]-1'-carboxamide
CID 126444162
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(3-propan-2-yl-1,2,4-triazol-1-yl)ethanone
CID 164633928
5-Fluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-dihydroindol-2-one
CID 43703117
6-Fluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-dihydroindol-2-one
CID 43703253
5-Fluoro-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1,3-dihydroindol-2-one
CID 66525019
6-Fluoro-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1,3-dihydroindol-2-one
CID 66525021
7-[1-fluoro-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-indole
CID 104277573

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-indol-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone (CID 116597015) is 1-(2,3-dihydro-1H-indol-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone is CC(C)n1ncnc1CC(=O)C1Cc2ccccc2N1.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone?
The InChIKey is GFESRWHVXMKFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10(2)19-15(16-9-17-19)8-14(20)13-7-11-5-3-4-6-12(11)18-13/h3-6,9-10,13,18H,7-8H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone?
1-(2,3-dihydro-1H-indol-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone has a molecular weight of 270.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone is sourced from PubChem (CID 116597015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).