4-[2-(9H-[1,2,4]triazino[6,5-b]indol-3-ylsulfanyl)ethyl]morpholine

C15H17N5OS — CID 6413888

IUPAC4-[2-(9H-[1,2,4]triazino[6,5-b]indol-3-ylsulfanyl)ethyl]morpholine
SMILESc1ccc2c(c1)[nH]c1nnc(SCCN3CCOCC3)nc12
InChIInChI=1S/C15H17N5OS/c1-2-4-12-11(3-1)13-14(16-12)18-19-15(17-13)22-10-7-20-5-8-21-9-6-20/h1-4H,5-10H2,(H,16,18)
InChIKeyGXQDAURXEGKZBJ-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.93
Rot. Bonds4

About 4-[2-(9H-[1,2,4]triazino[6,5-b]indol-3-ylsulfanyl)ethyl]morpholine

4-[2-(9H-[1,2,4]triazino[6,5-b]indol-3-ylsulfanyl)ethyl]morpholine (PubChem CID 6413888) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-[2-(9H-[1,2,4]triazino[6,5-b]indol-3-ylsulfanyl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(9H-[1,2,4]triazino[6,5-b]indol-3-ylsulfanyl)ethyl]morpholine
PubChem CID6413888
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name4-[2-(9H-[1,2,4]triazino[6,5-b]indol-3-ylsulfanyl)ethyl]morpholine
SMILESc1ccc2c(c1)[nH]c1nnc(SCCN3CCOCC3)nc12
InChIInChI=1S/C15H17N5OS/c1-2-4-12-11(3-1)13-14(16-12)18-19-15(17-13)22-10-7-20-5-8-21-9-6-20/h1-4H,5-10H2,(H,16,18)
InChIKeyGXQDAURXEGKZBJ-UHFFFAOYSA-N
XLogP1.93
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(2,5,9,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11,13,15-octaen-7-yl)ethyl]morpholine
CID 101110456
3-[3-(4-methylpiperazin-4-ium-1-yl)propylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole chloride
CID 43834071
1-[3-(2-morpholin-4-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indol-5-yl]ethanone
CID 25020991
2-(2-morpholin-4-ylethylsulfanyl)pyrimidine-4,6-diamine
CID 864592
4-[2-(5-bromopyrimidin-2-yl)sulfanylethyl]morpholine
CID 75392958
(2R)-1-morpholin-4-ium-4-yl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propan-2-ol
CID 6934862
1-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetyl]imidazolidin-2-one
CID 6405243
4-(2-morpholin-4-ylethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine
CID 17411074
4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170870878
9H-carbazole;4-methylmorpholine
CID 175233361
4-[2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
CID 35052035
3,3-dimethyl-1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butan-2-one
CID 6414090

Frequently Asked Questions

What is the IUPAC name of 4-[2-(9H-[1,2,4]triazino[6,5-b]indol-3-ylsulfanyl)ethyl]morpholine?
The IUPAC name of 4-[2-(9H-[1,2,4]triazino[6,5-b]indol-3-ylsulfanyl)ethyl]morpholine (CID 6413888) is 4-[2-(9H-[1,2,4]triazino[6,5-b]indol-3-ylsulfanyl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(9H-[1,2,4]triazino[6,5-b]indol-3-ylsulfanyl)ethyl]morpholine?
The canonical SMILES for 4-[2-(9H-[1,2,4]triazino[6,5-b]indol-3-ylsulfanyl)ethyl]morpholine is c1ccc2c(c1)[nH]c1nnc(SCCN3CCOCC3)nc12.
What is the InChIKey of 4-[2-(9H-[1,2,4]triazino[6,5-b]indol-3-ylsulfanyl)ethyl]morpholine?
The InChIKey is GXQDAURXEGKZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-2-4-12-11(3-1)13-14(16-12)18-19-15(17-13)22-10-7-20-5-8-21-9-6-20/h1-4H,5-10H2,(H,16,18).
What are the key properties of 4-[2-(9H-[1,2,4]triazino[6,5-b]indol-3-ylsulfanyl)ethyl]morpholine?
4-[2-(9H-[1,2,4]triazino[6,5-b]indol-3-ylsulfanyl)ethyl]morpholine has a molecular weight of 315.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(9H-[1,2,4]triazino[6,5-b]indol-3-ylsulfanyl)ethyl]morpholine is sourced from PubChem (CID 6413888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).