3-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-amine

C10H8BrN5S — CID 14023202

IUPAC3-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-amine
SMILESNC1=Nn2c(nnc2-c2ccc(Br)cc2)SC1
InChIInChI=1S/C10H8BrN5S/c11-7-3-1-6(2-4-7)9-13-14-10-16(9)15-8(12)5-17-10/h1-4H,5H2,(H2,12,15)
InChIKeyHLOLFJGSVLFWKQ-UHFFFAOYSA-N
MW310.18 g/mol
LogP1.93
Rot. Bonds1

About 3-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-amine

3-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-amine (PubChem CID 14023202) has the molecular formula C10H8BrN5S and a molecular weight of 310.18 g/mol. Its IUPAC name is 3-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-amine
PubChem CID14023202
Molecular FormulaC10H8BrN5S
Molecular Weight310.18 g/mol
Exact Mass308.97
IUPAC Name3-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-amine
SMILESNC1=Nn2c(nnc2-c2ccc(Br)cc2)SC1
InChIInChI=1S/C10H8BrN5S/c11-7-3-1-6(2-4-7)9-13-14-10-16(9)15-8(12)5-17-10/h1-4H,5H2,(H2,12,15)
InChIKeyHLOLFJGSVLFWKQ-UHFFFAOYSA-N
XLogP1.93
TPSA69.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-amine?
The IUPAC name of 3-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-amine (CID 14023202) is 3-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-amine.
What is the SMILES notation for 3-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-amine?
The canonical SMILES for 3-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-amine is NC1=Nn2c(nnc2-c2ccc(Br)cc2)SC1.
What is the InChIKey of 3-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-amine?
The InChIKey is HLOLFJGSVLFWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN5S/c11-7-3-1-6(2-4-7)9-13-14-10-16(9)15-8(12)5-17-10/h1-4H,5H2,(H2,12,15).
What are the key properties of 3-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-amine?
3-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-amine has a molecular weight of 310.18 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-amine is sourced from PubChem (CID 14023202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).