[8-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol

C11H18N4O2S — CID 136571585

IUPAC[8-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol
SMILESCc1nsc(N2CCN3CCOCC3(CO)C2)n1
InChIInChI=1S/C11H18N4O2S/c1-9-12-10(18-13-9)14-2-3-15-4-5-17-8-11(15,6-14)7-16/h16H,2-8H2,1H3
InChIKeyJQZNEBWRLCUMJI-UHFFFAOYSA-N
MW270.36 g/mol
LogP-0.27
Rot. Bonds2

About [8-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol

[8-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol (PubChem CID 136571585) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is [8-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol.

Molecular Properties

Compound Name[8-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol
PubChem CID136571585
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name[8-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol
SMILESCc1nsc(N2CCN3CCOCC3(CO)C2)n1
InChIInChI=1S/C11H18N4O2S/c1-9-12-10(18-13-9)14-2-3-15-4-5-17-8-11(15,6-14)7-16/h16H,2-8H2,1H3
InChIKeyJQZNEBWRLCUMJI-UHFFFAOYSA-N
XLogP-0.27
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [8-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [8-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol?
The IUPAC name of [8-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol (CID 136571585) is [8-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol.
What is the SMILES notation for [8-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol?
The canonical SMILES for [8-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol is Cc1nsc(N2CCN3CCOCC3(CO)C2)n1.
What is the InChIKey of [8-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol?
The InChIKey is JQZNEBWRLCUMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-9-12-10(18-13-9)14-2-3-15-4-5-17-8-11(15,6-14)7-16/h16H,2-8H2,1H3.
What are the key properties of [8-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol?
[8-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol has a molecular weight of 270.36 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol is sourced from PubChem (CID 136571585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).