6-(4-methoxyphenyl)-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine;hydrobromide

C14H17BrN4OS — CID 44723913

IUPAC6-(4-methoxyphenyl)-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine;hydrobromide
SMILESBr.CCCc1nnn2c1SCC(c1ccc(OC)cc1)=N2
InChIInChI=1S/C14H16N4OS.BrH/c1-3-4-12-14-18(17-15-12)16-13(9-20-14)10-5-7-11(19-2)8-6-10;/h5-8H,3-4,9H2,1-2H3;1H
InChIKeyZENAUYCISCYSJP-UHFFFAOYSA-N
MW369.29 g/mol
LogP3.18
Rot. Bonds4

About 6-(4-methoxyphenyl)-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine;hydrobromide

6-(4-methoxyphenyl)-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine;hydrobromide (PubChem CID 44723913) has the molecular formula C14H17BrN4OS and a molecular weight of 369.29 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine;hydrobromide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine;hydrobromide
PubChem CID44723913
Molecular FormulaC14H17BrN4OS
Molecular Weight369.29 g/mol
Exact Mass368.03
IUPAC Name6-(4-methoxyphenyl)-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine;hydrobromide
SMILESBr.CCCc1nnn2c1SCC(c1ccc(OC)cc1)=N2
InChIInChI=1S/C14H16N4OS.BrH/c1-3-4-12-14-18(17-15-12)16-13(9-20-14)10-5-7-11(19-2)8-6-10;/h5-8H,3-4,9H2,1-2H3;1H
InChIKeyZENAUYCISCYSJP-UHFFFAOYSA-N
XLogP3.18
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine;hydrobromide?
The IUPAC name of 6-(4-methoxyphenyl)-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine;hydrobromide (CID 44723913) is 6-(4-methoxyphenyl)-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine;hydrobromide.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine;hydrobromide?
The canonical SMILES for 6-(4-methoxyphenyl)-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine;hydrobromide is Br.CCCc1nnn2c1SCC(c1ccc(OC)cc1)=N2.
What is the InChIKey of 6-(4-methoxyphenyl)-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine;hydrobromide?
The InChIKey is ZENAUYCISCYSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS.BrH/c1-3-4-12-14-18(17-15-12)16-13(9-20-14)10-5-7-11(19-2)8-6-10;/h5-8H,3-4,9H2,1-2H3;1H.
What are the key properties of 6-(4-methoxyphenyl)-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine;hydrobromide?
6-(4-methoxyphenyl)-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine;hydrobromide has a molecular weight of 369.29 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine;hydrobromide is sourced from PubChem (CID 44723913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).