3-Methyl-6-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C9H7N5S — CID 666152

IUPAC3-methyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC1=NN=C2N1N=C(S2)C3=CC=CC=N3
InChIInChI=1S/C9H7N5S/c1-6-11-12-9-14(6)13-8(15-9)7-4-2-3-5-10-7/h2-5H,1H3
InChIKeyMAJUGGFCNAJMPZ-UHFFFAOYSA-N
MW217.25 g/mol
LogP1.30
Rot. Bonds1

About 3-Methyl-6-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-Methyl-6-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 666152) has the molecular formula C9H7N5S and a molecular weight of 217.25 g/mol. Its IUPAC name is 3-methyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-Methyl-6-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID666152
Molecular FormulaC9H7N5S
Molecular Weight217.25 g/mol
Exact Mass217.04
IUPAC Name3-methyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC1=NN=C2N1N=C(S2)C3=CC=CC=N3
InChIInChI=1S/C9H7N5S/c1-6-11-12-9-14(6)13-8(15-9)7-4-2-3-5-10-7/h2-5H,1H3
InChIKeyMAJUGGFCNAJMPZ-UHFFFAOYSA-N
XLogP1.30
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity239

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-Methyl-6-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-Methyl-6-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 666152) is 3-methyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-Methyl-6-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-Methyl-6-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CC1=NN=C2N1N=C(S2)C3=CC=CC=N3.
What is the InChIKey of 3-Methyl-6-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is MAJUGGFCNAJMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5S/c1-6-11-12-9-14(6)13-8(15-9)7-4-2-3-5-10-7/h2-5H,1H3.
What are the key properties of 3-Methyl-6-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-Methyl-6-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 217.25 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Methyl-6-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 666152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).