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

C14H15N5OS — CID 10380134

IUPAC4-[(6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine
SMILESc1ccc(-c2nn3c(CN4CCOCC4)nnc3s2)cc1
InChIInChI=1S/C14H15N5OS/c1-2-4-11(5-3-1)13-17-19-12(15-16-14(19)21-13)10-18-6-8-20-9-7-18/h1-5H,6-10H2
InChIKeyWLDGPOSETNXOJB-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.68
Rot. Bonds3

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

4-[(6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine (PubChem CID 10380134) has the molecular formula C14H15N5OS and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-[(6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine
PubChem CID10380134
Molecular FormulaC14H15N5OS
Molecular Weight301.37 g/mol
Exact Mass301.10
IUPAC Name4-[(6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine
SMILESc1ccc(-c2nn3c(CN4CCOCC4)nnc3s2)cc1
InChIInChI=1S/C14H15N5OS/c1-2-4-11(5-3-1)13-17-19-12(15-16-14(19)21-13)10-18-6-8-20-9-7-18/h1-5H,6-10H2
InChIKeyWLDGPOSETNXOJB-UHFFFAOYSA-N
XLogP1.68
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine?
The IUPAC name of 4-[(6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine (CID 10380134) is 4-[(6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine.
What is the SMILES notation for 4-[(6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine?
The canonical SMILES for 4-[(6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine is c1ccc(-c2nn3c(CN4CCOCC4)nnc3s2)cc1.
What is the InChIKey of 4-[(6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine?
The InChIKey is WLDGPOSETNXOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-2-4-11(5-3-1)13-17-19-12(15-16-14(19)21-13)10-18-6-8-20-9-7-18/h1-5H,6-10H2.
What are the key properties of 4-[(6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine?
4-[(6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine has a molecular weight of 301.37 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine is sourced from PubChem (CID 10380134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).