2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one

C18H18N4O2 — CID 22514517

IUPAC2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESCCc1nn(CC(=O)N2CCc3ccccc32)c(=O)c2cccn12
InChIInChI=1S/C18H18N4O2/c1-2-16-19-22(18(24)15-8-5-10-20(15)16)12-17(23)21-11-9-13-6-3-4-7-14(13)21/h3-8,10H,2,9,11-12H2,1H3
InChIKeyJULHLEYJSZVXMY-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.65
Rot. Bonds3

About 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one (PubChem CID 22514517) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one.

Molecular Properties

Compound Name2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one
PubChem CID22514517
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESCCc1nn(CC(=O)N2CCc3ccccc32)c(=O)c2cccn12
InChIInChI=1S/C18H18N4O2/c1-2-16-19-22(18(24)15-8-5-10-20(15)16)12-17(23)21-11-9-13-6-3-4-7-14(13)21/h3-8,10H,2,9,11-12H2,1H3
InChIKeyJULHLEYJSZVXMY-UHFFFAOYSA-N
XLogP1.65
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one with MolForge

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Related Compounds

5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
CID 6620157
N,N-Diethyl-2-{4-oxo-5-propyl-3H,4H,5H-pyridazino[4,5-B]indol-3-YL}acetamide
CID 20912782
4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
CID 22514403
N-benzyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
CID 22514420
N-(2-Ethylphenyl)-2-{4-methyl-1-oxo-1H,2H-pyrrolo[1,2-D][1,2,4]triazin-2-YL}acetamide
CID 22514435
N-cyclohexyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide
CID 22514504
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
CID 22514526
N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrrolo[2,1-f][1,2,4]triazin-2-yl)propyl]-4-methylbenzamide
CID 9872853
N-Benzyl-N,1-dimethylpyrrole-2-carboxamide
CID 11064199
1-methyl-2-[(2-methyl-2,3-dihydro-1H-indol-1-yl)carbonyl]pyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
CID 3236604
2-(4-methylbenzyl)[1,2,4]triazino[4,5-a]indol-1(2H)-one
CID 3242649
N-(3-ethylphenyl)-2-(1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
CID 3243499

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one?
The IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one (CID 22514517) is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one.
What is the SMILES notation for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one?
The canonical SMILES for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one is CCc1nn(CC(=O)N2CCc3ccccc32)c(=O)c2cccn12.
What is the InChIKey of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one?
The InChIKey is JULHLEYJSZVXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-2-16-19-22(18(24)15-8-5-10-20(15)16)12-17(23)21-11-9-13-6-3-4-7-14(13)21/h3-8,10H,2,9,11-12H2,1H3.
What are the key properties of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one?
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one has a molecular weight of 322.37 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-one is sourced from PubChem (CID 22514517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).