4-[5-[4-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-2H-triazol-4-yl]-5-[5-(1-pyridin-2-yltetrazol-5-yl)thiadiazol-4-yl]oxadiazole

C18H10N16OS — CID 137099320

IUPAC4-[5-[4-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-2H-triazol-4-yl]-5-[5-(1-pyridin-2-yltetrazol-5-yl)thiadiazol-4-yl]oxadiazole
SMILESc1ccc(-n2nnnc2-c2snnc2-c2onnc2-c2n[nH]nc2-c2[nH]ncc2-c2ncc[nH]2)nc1
InChIInChI=1S/C18H10N16OS/c1-2-4-19-9(3-1)34-18(28-30-31-34)16-14(27-33-36-16)15-13(26-32-35-15)12-11(24-29-25-12)10-8(7-22-23-10)17-20-5-6-21-17/h1-7H,(H,20,21)(H,22,23)(H,24,25,29)
InChIKeyQVCVGQNEPVWWKO-UHFFFAOYSA-N
MW498.46 g/mol
LogP1.19
Rot. Bonds6

About 4-[5-[4-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-2H-triazol-4-yl]-5-[5-(1-pyridin-2-yltetrazol-5-yl)thiadiazol-4-yl]oxadiazole

4-[5-[4-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-2H-triazol-4-yl]-5-[5-(1-pyridin-2-yltetrazol-5-yl)thiadiazol-4-yl]oxadiazole (PubChem CID 137099320) has the molecular formula C18H10N16OS and a molecular weight of 498.46 g/mol. Its IUPAC name is 4-[5-[4-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-2H-triazol-4-yl]-5-[5-(1-pyridin-2-yltetrazol-5-yl)thiadiazol-4-yl]oxadiazole.

Molecular Properties

Compound Name4-[5-[4-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-2H-triazol-4-yl]-5-[5-(1-pyridin-2-yltetrazol-5-yl)thiadiazol-4-yl]oxadiazole
PubChem CID137099320
Molecular FormulaC18H10N16OS
Molecular Weight498.46 g/mol
Exact Mass498.09
IUPAC Name4-[5-[4-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-2H-triazol-4-yl]-5-[5-(1-pyridin-2-yltetrazol-5-yl)thiadiazol-4-yl]oxadiazole
SMILESc1ccc(-n2nnnc2-c2snnc2-c2onnc2-c2n[nH]nc2-c2[nH]ncc2-c2ncc[nH]2)nc1
InChIInChI=1S/C18H10N16OS/c1-2-4-19-9(3-1)34-18(28-30-31-34)16-14(27-33-36-16)15-13(26-32-35-15)12-11(24-29-25-12)10-8(7-22-23-10)17-20-5-6-21-17/h1-7H,(H,20,21)(H,22,23)(H,24,25,29)
InChIKeyQVCVGQNEPVWWKO-UHFFFAOYSA-N
XLogP1.19
TPSA220.12 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.46
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 4-[5-[4-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-2H-triazol-4-yl]-5-[5-(1-pyridin-2-yltetrazol-5-yl)thiadiazol-4-yl]oxadiazole with MolForge

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Related Compounds

4-[5-(2H-tetrazol-5-yl)-6-(2H-triazol-4-yl)pyrimidin-4-yl]-5-(thiadiazol-4-yl)oxadiazole
CID 91140109
5-[4-[5-(5-pyridazin-3-ylthiadiazol-4-yl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]oxadiazole
CID 136491956
4-[5-[4-[5-[5-[5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-triazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-1,2-oxazol-4-yl]oxadiazole
CID 136657263
4-[3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(thiadiazol-4-yl)-1-(1,2-thiazol-3-yl)triazolidin-4-yl]oxadiazole
CID 140971280
4-[4-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-6-(thiadiazol-4-yl)-2-(2H-triazol-4-yl)-4H-pyrimidin-1-yl]oxadiazole
CID 141148091

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-2H-triazol-4-yl]-5-[5-(1-pyridin-2-yltetrazol-5-yl)thiadiazol-4-yl]oxadiazole?
The IUPAC name of 4-[5-[4-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-2H-triazol-4-yl]-5-[5-(1-pyridin-2-yltetrazol-5-yl)thiadiazol-4-yl]oxadiazole (CID 137099320) is 4-[5-[4-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-2H-triazol-4-yl]-5-[5-(1-pyridin-2-yltetrazol-5-yl)thiadiazol-4-yl]oxadiazole.
What is the SMILES notation for 4-[5-[4-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-2H-triazol-4-yl]-5-[5-(1-pyridin-2-yltetrazol-5-yl)thiadiazol-4-yl]oxadiazole?
The canonical SMILES for 4-[5-[4-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-2H-triazol-4-yl]-5-[5-(1-pyridin-2-yltetrazol-5-yl)thiadiazol-4-yl]oxadiazole is c1ccc(-n2nnnc2-c2snnc2-c2onnc2-c2n[nH]nc2-c2[nH]ncc2-c2ncc[nH]2)nc1.
What is the InChIKey of 4-[5-[4-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-2H-triazol-4-yl]-5-[5-(1-pyridin-2-yltetrazol-5-yl)thiadiazol-4-yl]oxadiazole?
The InChIKey is QVCVGQNEPVWWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N16OS/c1-2-4-19-9(3-1)34-18(28-30-31-34)16-14(27-33-36-16)15-13(26-32-35-15)12-11(24-29-25-12)10-8(7-22-23-10)17-20-5-6-21-17/h1-7H,(H,20,21)(H,22,23)(H,24,25,29).
What are the key properties of 4-[5-[4-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-2H-triazol-4-yl]-5-[5-(1-pyridin-2-yltetrazol-5-yl)thiadiazol-4-yl]oxadiazole?
4-[5-[4-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-2H-triazol-4-yl]-5-[5-(1-pyridin-2-yltetrazol-5-yl)thiadiazol-4-yl]oxadiazole has a molecular weight of 498.46 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-2H-triazol-4-yl]-5-[5-(1-pyridin-2-yltetrazol-5-yl)thiadiazol-4-yl]oxadiazole is sourced from PubChem (CID 137099320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).