4-[2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl]morpholine

C16H19N5OS — CID 6398899

IUPAC4-[2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl]morpholine
SMILESCc1ccc2[nH]c3nc(SCCN4CCOCC4)nnc3c2c1
InChIInChI=1S/C16H19N5OS/c1-11-2-3-13-12(10-11)14-15(17-13)18-16(20-19-14)23-9-6-21-4-7-22-8-5-21/h2-3,10H,4-9H2,1H3,(H,17,18,20)
InChIKeyKONJCYYXWVVROS-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.24
Rot. Bonds4

About 4-[2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl]morpholine

4-[2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl]morpholine (PubChem CID 6398899) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 4-[2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl]morpholine
PubChem CID6398899
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name4-[2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl]morpholine
SMILESCc1ccc2[nH]c3nc(SCCN4CCOCC4)nnc3c2c1
InChIInChI=1S/C16H19N5OS/c1-11-2-3-13-12(10-11)14-15(17-13)18-16(20-19-14)23-9-6-21-4-7-22-8-5-21/h2-3,10H,4-9H2,1H3,(H,17,18,20)
InChIKeyKONJCYYXWVVROS-UHFFFAOYSA-N
XLogP2.24
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl]morpholine?
The IUPAC name of 4-[2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl]morpholine (CID 6398899) is 4-[2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl]morpholine is Cc1ccc2[nH]c3nc(SCCN4CCOCC4)nnc3c2c1.
What is the InChIKey of 4-[2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl]morpholine?
The InChIKey is KONJCYYXWVVROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-11-2-3-13-12(10-11)14-15(17-13)18-16(20-19-14)23-9-6-21-4-7-22-8-5-21/h2-3,10H,4-9H2,1H3,(H,17,18,20).
What are the key properties of 4-[2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl]morpholine?
4-[2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl]morpholine has a molecular weight of 329.43 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl]morpholine is sourced from PubChem (CID 6398899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).