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

C15H15N7S — CID 71707457

IUPAC3-(3-methyl-1-propylpyrazol-4-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCCn1cc(-c2nnc3sc(-c4ccncc4)nn23)c(C)n1
InChIInChI=1S/C15H15N7S/c1-3-8-21-9-12(10(2)19-21)13-17-18-15-22(13)20-14(23-15)11-4-6-16-7-5-11/h4-7,9H,3,8H2,1-2H3
InChIKeyZCCRYFKRLGGBBE-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.83
Rot. Bonds4

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

3-(3-methyl-1-propylpyrazol-4-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 71707457) has the molecular formula C15H15N7S and a molecular weight of 325.40 g/mol. Its IUPAC name is 3-(3-methyl-1-propylpyrazol-4-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(3-methyl-1-propylpyrazol-4-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID71707457
Molecular FormulaC15H15N7S
Molecular Weight325.40 g/mol
Exact Mass325.11
IUPAC Name3-(3-methyl-1-propylpyrazol-4-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCCn1cc(-c2nnc3sc(-c4ccncc4)nn23)c(C)n1
InChIInChI=1S/C15H15N7S/c1-3-8-21-9-12(10(2)19-21)13-17-18-15-22(13)20-14(23-15)11-4-6-16-7-5-11/h4-7,9H,3,8H2,1-2H3
InChIKeyZCCRYFKRLGGBBE-UHFFFAOYSA-N
XLogP2.83
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1-propylpyrazol-4-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(3-methyl-1-propylpyrazol-4-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 71707457) is 3-(3-methyl-1-propylpyrazol-4-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(3-methyl-1-propylpyrazol-4-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(3-methyl-1-propylpyrazol-4-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CCCn1cc(-c2nnc3sc(-c4ccncc4)nn23)c(C)n1.
What is the InChIKey of 3-(3-methyl-1-propylpyrazol-4-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is ZCCRYFKRLGGBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7S/c1-3-8-21-9-12(10(2)19-21)13-17-18-15-22(13)20-14(23-15)11-4-6-16-7-5-11/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 3-(3-methyl-1-propylpyrazol-4-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(3-methyl-1-propylpyrazol-4-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 325.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1-propylpyrazol-4-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 71707457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).