5-(methoxymethyl)-4-methyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one

C16H20N4O3 — CID 166266633

IUPAC5-(methoxymethyl)-4-methyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one
SMILESCOCc1nn(CC(=O)N2c3ccccc3CC2C)c(=O)n1C
InChIInChI=1S/C16H20N4O3/c1-11-8-12-6-4-5-7-13(12)20(11)15(21)9-19-16(22)18(2)14(17-19)10-23-3/h4-7,11H,8-10H2,1-3H3
InChIKeyFCHUWTPTUKQPFY-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.71
Rot. Bonds4

About 5-(methoxymethyl)-4-methyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one

5-(methoxymethyl)-4-methyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one (PubChem CID 166266633) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-(methoxymethyl)-4-methyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-(methoxymethyl)-4-methyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one
PubChem CID166266633
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name5-(methoxymethyl)-4-methyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one
SMILESCOCc1nn(CC(=O)N2c3ccccc3CC2C)c(=O)n1C
InChIInChI=1S/C16H20N4O3/c1-11-8-12-6-4-5-7-13(12)20(11)15(21)9-19-16(22)18(2)14(17-19)10-23-3/h4-7,11H,8-10H2,1-3H3
InChIKeyFCHUWTPTUKQPFY-UHFFFAOYSA-N
XLogP0.71
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(methoxymethyl)-4-methyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one with MolForge

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Related Compounds

2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 154781578
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CID 51188925
3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110838977
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyltetrazol-1-yl)ethanone
CID 146126993
4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one
CID 16676846
1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one
CID 24587457
N-(2-methoxyethyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113117047
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367
2-(benzimidazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3408153
1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione
CID 8626165
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone
CID 9128029

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-4-methyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one?
The IUPAC name of 5-(methoxymethyl)-4-methyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one (CID 166266633) is 5-(methoxymethyl)-4-methyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one.
What is the SMILES notation for 5-(methoxymethyl)-4-methyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one?
The canonical SMILES for 5-(methoxymethyl)-4-methyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one is COCc1nn(CC(=O)N2c3ccccc3CC2C)c(=O)n1C.
What is the InChIKey of 5-(methoxymethyl)-4-methyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one?
The InChIKey is FCHUWTPTUKQPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11-8-12-6-4-5-7-13(12)20(11)15(21)9-19-16(22)18(2)14(17-19)10-23-3/h4-7,11H,8-10H2,1-3H3.
What are the key properties of 5-(methoxymethyl)-4-methyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one?
5-(methoxymethyl)-4-methyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one has a molecular weight of 316.36 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-4-methyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one is sourced from PubChem (CID 166266633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).