6-(3-bromophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C15H10BrN5S — CID 22588404

IUPAC6-(3-bromophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESBrc1cccc(C2=Nn3c(nnc3-c3cccnc3)SC2)c1
InChIInChI=1S/C15H10BrN5S/c16-12-5-1-3-10(7-12)13-9-22-15-19-18-14(21(15)20-13)11-4-2-6-17-8-11/h1-8H,9H2
InChIKeyPOAZRRYEXVUSOE-UHFFFAOYSA-N
MW372.25 g/mol
LogP3.46
Rot. Bonds2

About 6-(3-bromophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

6-(3-bromophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 22588404) has the molecular formula C15H10BrN5S and a molecular weight of 372.25 g/mol. Its IUPAC name is 6-(3-bromophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-(3-bromophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID22588404
Molecular FormulaC15H10BrN5S
Molecular Weight372.25 g/mol
Exact Mass370.98
IUPAC Name6-(3-bromophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESBrc1cccc(C2=Nn3c(nnc3-c3cccnc3)SC2)c1
InChIInChI=1S/C15H10BrN5S/c16-12-5-1-3-10(7-12)13-9-22-15-19-18-14(21(15)20-13)11-4-2-6-17-8-11/h1-8H,9H2
InChIKeyPOAZRRYEXVUSOE-UHFFFAOYSA-N
XLogP3.46
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-(3-bromophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 22588404) is 6-(3-bromophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-(3-bromophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-(3-bromophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is Brc1cccc(C2=Nn3c(nnc3-c3cccnc3)SC2)c1.
What is the InChIKey of 6-(3-bromophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is POAZRRYEXVUSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN5S/c16-12-5-1-3-10(7-12)13-9-22-15-19-18-14(21(15)20-13)11-4-2-6-17-8-11/h1-8H,9H2.
What are the key properties of 6-(3-bromophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-(3-bromophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 372.25 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 22588404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).