6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C15H15N7S — CID 51043685

IUPAC6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC(C)c1cc(-c2nn3c(-c4ccccn4)nnc3s2)n(C)n1
InChIInChI=1S/C15H15N7S/c1-9(2)11-8-12(21(3)19-11)14-20-22-13(17-18-15(22)23-14)10-6-4-5-7-16-10/h4-9H,1-3H3
InChIKeyIESCQHVRRMCAIC-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.77
Rot. Bonds3

About 6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 51043685) has the molecular formula C15H15N7S and a molecular weight of 325.40 g/mol. Its IUPAC name is 6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID51043685
Molecular FormulaC15H15N7S
Molecular Weight325.40 g/mol
Exact Mass325.11
IUPAC Name6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC(C)c1cc(-c2nn3c(-c4ccccn4)nnc3s2)n(C)n1
InChIInChI=1S/C15H15N7S/c1-9(2)11-8-12(21(3)19-11)14-20-22-13(17-18-15(22)23-14)10-6-4-5-7-16-10/h4-9H,1-3H3
InChIKeyIESCQHVRRMCAIC-UHFFFAOYSA-N
XLogP2.77
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 51043685) is 6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CC(C)c1cc(-c2nn3c(-c4ccccn4)nnc3s2)n(C)n1.
What is the InChIKey of 6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is IESCQHVRRMCAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7S/c1-9(2)11-8-12(21(3)19-11)14-20-22-13(17-18-15(22)23-14)10-6-4-5-7-16-10/h4-9H,1-3H3.
What are the key properties of 6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 325.40 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 51043685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).