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

C15H17N5OS — CID 10335855

IUPAC4-[[6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]morpholine
SMILESCc1ccc(-c2nn3c(CN4CCOCC4)nnc3s2)cc1
InChIInChI=1S/C15H17N5OS/c1-11-2-4-12(5-3-11)14-18-20-13(16-17-15(20)22-14)10-19-6-8-21-9-7-19/h2-5H,6-10H2,1H3
InChIKeyVXGPAFWIIBQCCZ-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.99
Rot. Bonds3

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

4-[[6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]morpholine (PubChem CID 10335855) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-[[6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]morpholine
PubChem CID10335855
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name4-[[6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]morpholine
SMILESCc1ccc(-c2nn3c(CN4CCOCC4)nnc3s2)cc1
InChIInChI=1S/C15H17N5OS/c1-11-2-4-12(5-3-11)14-18-20-13(16-17-15(20)22-14)10-19-6-8-21-9-7-19/h2-5H,6-10H2,1H3
InChIKeyVXGPAFWIIBQCCZ-UHFFFAOYSA-N
XLogP1.99
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]morpholine (CID 10335855) is 4-[[6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]morpholine is Cc1ccc(-c2nn3c(CN4CCOCC4)nnc3s2)cc1.
What is the InChIKey of 4-[[6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]morpholine?
The InChIKey is VXGPAFWIIBQCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-11-2-4-12(5-3-11)14-18-20-13(16-17-15(20)22-14)10-19-6-8-21-9-7-19/h2-5H,6-10H2,1H3.
What are the key properties of 4-[[6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]morpholine?
4-[[6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]morpholine has a molecular weight of 315.40 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]morpholine is sourced from PubChem (CID 10335855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).