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

C10H9N5S — CID 662615

IUPAC6-methyl-3-pyridin-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCC1=Nn2c(nnc2-c2ccccn2)SC1
InChIInChI=1S/C10H9N5S/c1-7-6-16-10-13-12-9(15(10)14-7)8-4-2-3-5-11-8/h2-5H,6H2,1H3
InChIKeyFNVVNLFVSBARNQ-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.67
Rot. Bonds1

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

6-methyl-3-pyridin-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 662615) has the molecular formula C10H9N5S and a molecular weight of 231.28 g/mol. Its IUPAC name is 6-methyl-3-pyridin-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-methyl-3-pyridin-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID662615
Molecular FormulaC10H9N5S
Molecular Weight231.28 g/mol
Exact Mass231.06
IUPAC Name6-methyl-3-pyridin-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCC1=Nn2c(nnc2-c2ccccn2)SC1
InChIInChI=1S/C10H9N5S/c1-7-6-16-10-13-12-9(15(10)14-7)8-4-2-3-5-11-8/h2-5H,6H2,1H3
InChIKeyFNVVNLFVSBARNQ-UHFFFAOYSA-N
XLogP1.67
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-pyridin-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-methyl-3-pyridin-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 662615) is 6-methyl-3-pyridin-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-methyl-3-pyridin-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-methyl-3-pyridin-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is CC1=Nn2c(nnc2-c2ccccn2)SC1.
What is the InChIKey of 6-methyl-3-pyridin-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is FNVVNLFVSBARNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S/c1-7-6-16-10-13-12-9(15(10)14-7)8-4-2-3-5-11-8/h2-5H,6H2,1H3.
What are the key properties of 6-methyl-3-pyridin-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-methyl-3-pyridin-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 231.28 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-pyridin-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 662615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).