1-[3-(2-morpholin-4-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indol-5-yl]ethanone

C17H19N5O2S — CID 25020991

IUPAC1-[3-(2-morpholin-4-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indol-5-yl]ethanone
SMILESCC(=O)n1c2ccccc2c2nnc(SCCN3CCOCC3)nc21
InChIInChI=1S/C17H19N5O2S/c1-12(23)22-14-5-3-2-4-13(14)15-16(22)18-17(20-19-15)25-11-8-21-6-9-24-10-7-21/h2-5H,6-11H2,1H3
InChIKeyPXIYKMVAWFYHNH-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.06
Rot. Bonds4

About 1-[3-(2-morpholin-4-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indol-5-yl]ethanone

1-[3-(2-morpholin-4-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indol-5-yl]ethanone (PubChem CID 25020991) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 1-[3-(2-morpholin-4-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-morpholin-4-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indol-5-yl]ethanone
PubChem CID25020991
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name1-[3-(2-morpholin-4-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indol-5-yl]ethanone
SMILESCC(=O)n1c2ccccc2c2nnc(SCCN3CCOCC3)nc21
InChIInChI=1S/C17H19N5O2S/c1-12(23)22-14-5-3-2-4-13(14)15-16(22)18-17(20-19-15)25-11-8-21-6-9-24-10-7-21/h2-5H,6-11H2,1H3
InChIKeyPXIYKMVAWFYHNH-UHFFFAOYSA-N
XLogP2.06
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[3-(2-morpholin-4-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indol-5-yl]ethanone with MolForge

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Related Compounds

1-morpholin-4-yl-2-[[5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]ethanone
CID 5292061
4-[2-(9H-[1,2,4]triazino[6,5-b]indol-3-ylsulfanyl)ethyl]morpholine
CID 6413888
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone
CID 3173725
2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide
CID 6415284
N,N-diethyl-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamine
CID 3159332
1-(4-tert-butylphenyl)-4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butan-1-one
CID 5295206
5-methyl-3-(2-phenoxyethylsulfanyl)-[1,2,4]triazino[5,6-b]indole
CID 5296943
3-ethylsulfanyl-5-propan-2-yl-[1,2,4]triazino[5,6-b]indole
CID 171980881
4-(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)morpholine
CID 6414498
ethyl 2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate
CID 3244188
4-[[5-[(4-tert-butylphenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)butan-1-one
CID 42737798
4-[[5-[(3-methylphenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 6414001

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-morpholin-4-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indol-5-yl]ethanone?
The IUPAC name of 1-[3-(2-morpholin-4-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indol-5-yl]ethanone (CID 25020991) is 1-[3-(2-morpholin-4-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indol-5-yl]ethanone.
What is the SMILES notation for 1-[3-(2-morpholin-4-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indol-5-yl]ethanone?
The canonical SMILES for 1-[3-(2-morpholin-4-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indol-5-yl]ethanone is CC(=O)n1c2ccccc2c2nnc(SCCN3CCOCC3)nc21.
What is the InChIKey of 1-[3-(2-morpholin-4-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indol-5-yl]ethanone?
The InChIKey is PXIYKMVAWFYHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-12(23)22-14-5-3-2-4-13(14)15-16(22)18-17(20-19-15)25-11-8-21-6-9-24-10-7-21/h2-5H,6-11H2,1H3.
What are the key properties of 1-[3-(2-morpholin-4-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indol-5-yl]ethanone?
1-[3-(2-morpholin-4-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indol-5-yl]ethanone has a molecular weight of 357.44 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-morpholin-4-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indol-5-yl]ethanone is sourced from PubChem (CID 25020991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).