1-(7-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanone

C20H20N4O — CID 126776988

IUPAC1-(7-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanone
SMILESCc1cccc2c1N(C(=O)Cc1nnc(-c3ccccc3)n1C)CC2
InChIInChI=1S/C20H20N4O/c1-14-7-6-10-15-11-12-24(19(14)15)18(25)13-17-21-22-20(23(17)2)16-8-4-3-5-9-16/h3-10H,11-13H2,1-2H3
InChIKeyHFJTUXAGVVVGPV-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.92
Rot. Bonds3

About 1-(7-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanone

1-(7-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanone (PubChem CID 126776988) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-(7-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(7-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanone
PubChem CID126776988
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name1-(7-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanone
SMILESCc1cccc2c1N(C(=O)Cc1nnc(-c3ccccc3)n1C)CC2
InChIInChI=1S/C20H20N4O/c1-14-7-6-10-15-11-12-24(19(14)15)18(25)13-17-21-22-20(23(17)2)16-8-4-3-5-9-16/h3-10H,11-13H2,1-2H3
InChIKeyHFJTUXAGVVVGPV-UHFFFAOYSA-N
XLogP2.92
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 23566601
1-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanone
CID 124628895
2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)-1-(2,4,4-trimethylpyrrolidin-1-yl)ethanone
CID 167742880
2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(7-methyl-2,3-dihydroindol-1-yl)ethanone
CID 112835828
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-(7-methyl-2,3-dihydroindol-1-yl)ethanone
CID 97072547
N,N,7-trimethyl-2,3-dihydroindole-1-carboxamide
CID 167015485
1-ethyl-3-[2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one
CID 112835829
1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 60704653
2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(7-methyl-2,3-dihydroindol-1-yl)ethanone
CID 112835752
2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 60721467
1-(7-methyl-2,3-dihydroindol-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 112835729
(7-methyl-2,3-dihydroindol-1-yl)-naphthalen-2-ylmethanone
CID 112835715

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanone?
The IUPAC name of 1-(7-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanone (CID 126776988) is 1-(7-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanone.
What is the SMILES notation for 1-(7-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanone?
The canonical SMILES for 1-(7-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanone is Cc1cccc2c1N(C(=O)Cc1nnc(-c3ccccc3)n1C)CC2.
What is the InChIKey of 1-(7-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanone?
The InChIKey is HFJTUXAGVVVGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-7-6-10-15-11-12-24(19(14)15)18(25)13-17-21-22-20(23(17)2)16-8-4-3-5-9-16/h3-10H,11-13H2,1-2H3.
What are the key properties of 1-(7-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanone?
1-(7-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanone has a molecular weight of 332.41 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanone is sourced from PubChem (CID 126776988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).