2-[2-(1H-pyrazol-5-yl)-6-(2H-tetrazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)-3-pyridinyl]-1,3,4-thiadiazole

C15H9N15S — CID 140986053

IUPAC2-[2-(1H-pyrazol-5-yl)-6-(2H-tetrazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)-3-pyridinyl]-1,3,4-thiadiazole
SMILESc1cc(-c2nc(-c3nn[nH]n3)c(-c3ncn[nH]3)c(-c3cn[nH]n3)c2-c2nncs2)[nH]n1
InChIInChI=1S/C15H9N15S/c1-2-17-22-6(1)11-10(15-27-20-5-31-15)8(7-3-18-28-23-7)9(13-16-4-19-24-13)12(21-11)14-25-29-30-26-14/h1-5H,(H,17,22)(H,16,19,24)(H,18,23,28)(H,25,26,29,30)
InChIKeySPHGULDUFBWBTB-UHFFFAOYSA-N
MW431.41 g/mol
LogP0.74
Rot. Bonds5

About 2-[2-(1H-pyrazol-5-yl)-6-(2H-tetrazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)-3-pyridinyl]-1,3,4-thiadiazole

2-[2-(1H-pyrazol-5-yl)-6-(2H-tetrazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)-3-pyridinyl]-1,3,4-thiadiazole (PubChem CID 140986053) has the molecular formula C15H9N15S and a molecular weight of 431.41 g/mol. Its IUPAC name is 2-[2-(1H-pyrazol-5-yl)-6-(2H-tetrazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)-3-pyridinyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[2-(1H-pyrazol-5-yl)-6-(2H-tetrazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)-3-pyridinyl]-1,3,4-thiadiazole
PubChem CID140986053
Molecular FormulaC15H9N15S
Molecular Weight431.41 g/mol
Exact Mass431.09
IUPAC Name2-[2-(1H-pyrazol-5-yl)-6-(2H-tetrazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)-3-pyridinyl]-1,3,4-thiadiazole
SMILESc1cc(-c2nc(-c3nn[nH]n3)c(-c3ncn[nH]3)c(-c3cn[nH]n3)c2-c2nncs2)[nH]n1
InChIInChI=1S/C15H9N15S/c1-2-17-22-6(1)11-10(15-27-20-5-31-15)8(7-3-18-28-23-7)9(13-16-4-19-24-13)12(21-11)14-25-29-30-26-14/h1-5H,(H,17,22)(H,16,19,24)(H,18,23,28)(H,25,26,29,30)
InChIKeySPHGULDUFBWBTB-UHFFFAOYSA-N
XLogP0.74
TPSA204.95 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.41
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 2-[2-(1H-pyrazol-5-yl)-6-(2H-tetrazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)-3-pyridinyl]-1,3,4-thiadiazole with MolForge

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Related Compounds

3-(3-phenyl-1H-pyrazol-5-yl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 665709
3-(3-phenyl-1H-pyrazol-5-yl)-6-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 127043884
6-(3-isobutyl-1H-pyrazol-5-yl)-3-(4-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 16424147
(R)-2-(5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-5-(1H-pyrazol-3-yl)-1,3,4-thiadiazole
CID 121395054
2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-(1H-pyrazol-5-yl)-1,3,4-thiadiazole
CID 121395057
[1-[1-(2,2-difluoroethyl)-5-(2-methyl-1,2,4-triazol-3-yl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-7-yl]cyclopropyl]-imino-methyl-oxo-lambda6-sulfane
CID 169963599
imino-methyl-[1-[5-(2-methyl-1,2,4-triazol-3-yl)-3-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridin-7-yl]cyclopropyl]-oxo-lambda6-sulfane
CID 169965867
3-[3-(propan-2-yl)-1H-pyrazol-5-yl]-6-(pyridin-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 30372121
6-(3-isobutyl-1H-pyrazol-5-yl)-3-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 16421297
3-[3-(4-Fluorophenyl)pyrazol-5-yl]-6-(2-pyridyl)-1,2,4-triazolo[3,4-b]1,3,4-th iadiazoline
CID 24211566
6-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-3-(pyridin-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 16414477
3-[3-(propan-2-yl)-1H-pyrazol-5-yl]-6-(pyridin-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 30372117

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-pyrazol-5-yl)-6-(2H-tetrazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)-3-pyridinyl]-1,3,4-thiadiazole?
The IUPAC name of 2-[2-(1H-pyrazol-5-yl)-6-(2H-tetrazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)-3-pyridinyl]-1,3,4-thiadiazole (CID 140986053) is 2-[2-(1H-pyrazol-5-yl)-6-(2H-tetrazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)-3-pyridinyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[2-(1H-pyrazol-5-yl)-6-(2H-tetrazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)-3-pyridinyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[2-(1H-pyrazol-5-yl)-6-(2H-tetrazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)-3-pyridinyl]-1,3,4-thiadiazole is c1cc(-c2nc(-c3nn[nH]n3)c(-c3ncn[nH]3)c(-c3cn[nH]n3)c2-c2nncs2)[nH]n1.
What is the InChIKey of 2-[2-(1H-pyrazol-5-yl)-6-(2H-tetrazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)-3-pyridinyl]-1,3,4-thiadiazole?
The InChIKey is SPHGULDUFBWBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N15S/c1-2-17-22-6(1)11-10(15-27-20-5-31-15)8(7-3-18-28-23-7)9(13-16-4-19-24-13)12(21-11)14-25-29-30-26-14/h1-5H,(H,17,22)(H,16,19,24)(H,18,23,28)(H,25,26,29,30).
What are the key properties of 2-[2-(1H-pyrazol-5-yl)-6-(2H-tetrazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)-3-pyridinyl]-1,3,4-thiadiazole?
2-[2-(1H-pyrazol-5-yl)-6-(2H-tetrazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)-3-pyridinyl]-1,3,4-thiadiazole has a molecular weight of 431.41 g/mol, XLogP of 0.74, 5 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-pyrazol-5-yl)-6-(2H-tetrazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)-3-pyridinyl]-1,3,4-thiadiazole is sourced from PubChem (CID 140986053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).