6-(6-methyl-3-pyridinyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C15H15N7S — CID 30372126

IUPAC6-(6-methyl-3-pyridinyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1ccc(-c2nn3c(-c4cc(C(C)C)[nH]n4)nnc3s2)cn1
InChIInChI=1S/C15H15N7S/c1-8(2)11-6-12(18-17-11)13-19-20-15-22(13)21-14(23-15)10-5-4-9(3)16-7-10/h4-8H,1-3H3,(H,17,18)
InChIKeyCZJVJUJGNPROCK-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.07
Rot. Bonds3

About 6-(6-methyl-3-pyridinyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(6-methyl-3-pyridinyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 30372126) has the molecular formula C15H15N7S and a molecular weight of 325.40 g/mol. Its IUPAC name is 6-(6-methyl-3-pyridinyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(6-methyl-3-pyridinyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID30372126
Molecular FormulaC15H15N7S
Molecular Weight325.40 g/mol
Exact Mass325.11
IUPAC Name6-(6-methyl-3-pyridinyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1ccc(-c2nn3c(-c4cc(C(C)C)[nH]n4)nnc3s2)cn1
InChIInChI=1S/C15H15N7S/c1-8(2)11-6-12(18-17-11)13-19-20-15-22(13)21-14(23-15)10-5-4-9(3)16-7-10/h4-8H,1-3H3,(H,17,18)
InChIKeyCZJVJUJGNPROCK-UHFFFAOYSA-N
XLogP3.07
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methyl-3-pyridinyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(6-methyl-3-pyridinyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 30372126) is 6-(6-methyl-3-pyridinyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(6-methyl-3-pyridinyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(6-methyl-3-pyridinyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Cc1ccc(-c2nn3c(-c4cc(C(C)C)[nH]n4)nnc3s2)cn1.
What is the InChIKey of 6-(6-methyl-3-pyridinyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is CZJVJUJGNPROCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7S/c1-8(2)11-6-12(18-17-11)13-19-20-15-22(13)21-14(23-15)10-5-4-9(3)16-7-10/h4-8H,1-3H3,(H,17,18).
What are the key properties of 6-(6-methyl-3-pyridinyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(6-methyl-3-pyridinyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 325.40 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methyl-3-pyridinyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 30372126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).