ethyl 6-(1-methylindol-3-yl)-5-oxo-4,6-dihydro-1,2,4-triazine-1-carboxylate

C15H16N4O3 — CID 137224471

IUPACethyl 6-(1-methylindol-3-yl)-5-oxo-4,6-dihydro-1,2,4-triazine-1-carboxylate
SMILESCCOC(=O)N1N=CNC(=O)C1c1cn(C)c2ccccc12
InChIInChI=1S/C15H16N4O3/c1-3-22-15(21)19-13(14(20)16-9-17-19)11-8-18(2)12-7-5-4-6-10(11)12/h4-9,13H,3H2,1-2H3,(H,16,17,20)
InChIKeyNORSMLOFJPQLSZ-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.75
Rot. Bonds2

About ethyl 6-(1-methylindol-3-yl)-5-oxo-4,6-dihydro-1,2,4-triazine-1-carboxylate

ethyl 6-(1-methylindol-3-yl)-5-oxo-4,6-dihydro-1,2,4-triazine-1-carboxylate (PubChem CID 137224471) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is ethyl 6-(1-methylindol-3-yl)-5-oxo-4,6-dihydro-1,2,4-triazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-(1-methylindol-3-yl)-5-oxo-4,6-dihydro-1,2,4-triazine-1-carboxylate
PubChem CID137224471
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Nameethyl 6-(1-methylindol-3-yl)-5-oxo-4,6-dihydro-1,2,4-triazine-1-carboxylate
SMILESCCOC(=O)N1N=CNC(=O)C1c1cn(C)c2ccccc12
InChIInChI=1S/C15H16N4O3/c1-3-22-15(21)19-13(14(20)16-9-17-19)11-8-18(2)12-7-5-4-6-10(11)12/h4-9,13H,3H2,1-2H3,(H,16,17,20)
InChIKeyNORSMLOFJPQLSZ-UHFFFAOYSA-N
XLogP1.75
TPSA75.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 6-(1-methylindol-3-yl)-5-oxo-4,6-dihydro-1,2,4-triazine-1-carboxylate with MolForge

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Related Compounds

(6S)-1-benzoyl-6-(1-methylindol-3-yl)-3-phenyl-4,6-dihydro-1,2,4-triazin-5-one
CID 135589728
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CID 23823027
ethyl (3S)-3-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride
CID 171226492
trans-ethyl (1S,2S)-2-[(E)-3-(1-methylindol-3-yl)prop-2-enoyl]cyclopropane-1-carboxylate
CID 10827850
trans-(1R,2R)-2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid
CID 67289453
2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid
CID 67289450
ethyl 4-[[3-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanoyl]amino]piperidine-1-carboxylate
CID 3541094
N,N-diethyl-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide
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ethyl 3,3-bis(1-methylindol-3-yl)propanoate
CID 11566677
(6R)-6-(1-methylindol-3-yl)-5-oxo-3-phenyl-4,6-dihydro-1,2,4-triazine-1-carbaldehyde
CID 135737693
1-ethyl-4-(1-methylindol-3-yl)imidazolidin-2-one
CID 116981002
ethyl 2-[4-[[3-(1-methylindol-3-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxylate
CID 59556295

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(1-methylindol-3-yl)-5-oxo-4,6-dihydro-1,2,4-triazine-1-carboxylate?
The IUPAC name of ethyl 6-(1-methylindol-3-yl)-5-oxo-4,6-dihydro-1,2,4-triazine-1-carboxylate (CID 137224471) is ethyl 6-(1-methylindol-3-yl)-5-oxo-4,6-dihydro-1,2,4-triazine-1-carboxylate.
What is the SMILES notation for ethyl 6-(1-methylindol-3-yl)-5-oxo-4,6-dihydro-1,2,4-triazine-1-carboxylate?
The canonical SMILES for ethyl 6-(1-methylindol-3-yl)-5-oxo-4,6-dihydro-1,2,4-triazine-1-carboxylate is CCOC(=O)N1N=CNC(=O)C1c1cn(C)c2ccccc12.
What is the InChIKey of ethyl 6-(1-methylindol-3-yl)-5-oxo-4,6-dihydro-1,2,4-triazine-1-carboxylate?
The InChIKey is NORSMLOFJPQLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-3-22-15(21)19-13(14(20)16-9-17-19)11-8-18(2)12-7-5-4-6-10(11)12/h4-9,13H,3H2,1-2H3,(H,16,17,20).
What are the key properties of ethyl 6-(1-methylindol-3-yl)-5-oxo-4,6-dihydro-1,2,4-triazine-1-carboxylate?
ethyl 6-(1-methylindol-3-yl)-5-oxo-4,6-dihydro-1,2,4-triazine-1-carboxylate has a molecular weight of 300.32 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(1-methylindol-3-yl)-5-oxo-4,6-dihydro-1,2,4-triazine-1-carboxylate is sourced from PubChem (CID 137224471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).