4-[(6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine

C12H13N7OS — CID 56736808

IUPAC4-[(6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine
SMILESc1cnc(-c2nn3c(CN4CCOCC4)nnc3s2)cn1
InChIInChI=1S/C12H13N7OS/c1-2-14-9(7-13-1)11-17-19-10(15-16-12(19)21-11)8-18-3-5-20-6-4-18/h1-2,7H,3-6,8H2
InChIKeyQKQGSTOHOPIZLY-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.47
Rot. Bonds3

About 4-[(6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine

4-[(6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine (PubChem CID 56736808) has the molecular formula C12H13N7OS and a molecular weight of 303.35 g/mol. Its IUPAC name is 4-[(6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine
PubChem CID56736808
Molecular FormulaC12H13N7OS
Molecular Weight303.35 g/mol
Exact Mass303.09
IUPAC Name4-[(6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine
SMILESc1cnc(-c2nn3c(CN4CCOCC4)nnc3s2)cn1
InChIInChI=1S/C12H13N7OS/c1-2-14-9(7-13-1)11-17-19-10(15-16-12(19)21-11)8-18-3-5-20-6-4-18/h1-2,7H,3-6,8H2
InChIKeyQKQGSTOHOPIZLY-UHFFFAOYSA-N
XLogP0.47
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine?
The IUPAC name of 4-[(6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine (CID 56736808) is 4-[(6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine.
What is the SMILES notation for 4-[(6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine?
The canonical SMILES for 4-[(6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine is c1cnc(-c2nn3c(CN4CCOCC4)nnc3s2)cn1.
What is the InChIKey of 4-[(6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine?
The InChIKey is QKQGSTOHOPIZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7OS/c1-2-14-9(7-13-1)11-17-19-10(15-16-12(19)21-11)8-18-3-5-20-6-4-18/h1-2,7H,3-6,8H2.
What are the key properties of 4-[(6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine?
4-[(6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine has a molecular weight of 303.35 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine is sourced from PubChem (CID 56736808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).