4-[4-pyrazin-2-yl-2,3-bis(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-4H-pyridazin-1-yl]thiadiazole

C24H18N18S — CID 141397870

About 4-[4-pyrazin-2-yl-2,3-bis(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-4H-pyridazin-1-yl]thiadiazole

4-[4-pyrazin-2-yl-2,3-bis(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-4H-pyridazin-1-yl]thiadiazole (PubChem CID 141397870) has the molecular formula C24H18N18S and a molecular weight of 590.60 g/mol. Its IUPAC name is 4-[4-pyrazin-2-yl-2,3-bis(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-4H-pyridazin-1-yl]thiadiazole.

Molecular Properties

• Compound Name: 4-[4-pyrazin-2-yl-2,3-bis(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-4H-pyridazin-1-yl]thiadiazole
• PubChem CID: 141397870
• Molecular Formula: C24H18N18S
• Molecular Weight: 590.60 g/mol
• Exact Mass: 590.17
• IUPAC Name: 4-[4-pyrazin-2-yl-2,3-bis(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-4H-pyridazin-1-yl]thiadiazole
• SMILES: c1ccc(C2=C(c3nn[nH]n3)N(c3csnn3)N(c3ccn[nH]3)C(c3cn[nH]n3)(c3ccn[nH]3)C2c2cnccn2)nc1
• InChI: InChI=1S/C24H18N18S/c1-2-6-26-14(3-1)20-21(15-11-25-9-10-27-15)24(16-4-7-28-31-16,17-12-30-37-32-17)42(18-5-8-29-33-18)41(19-13-43-40-34-19)22(20)23-35-38-39-36-23/h1-13,21H,(H,28,31)(H,29,33)(H,30,32,37)(H,35,36,38,39)
• InChIKey: KSWYONPHEBOXGY-UHFFFAOYSA-N
• XLogP: 1.34
• TPSA: 224.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.60
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4-[4-pyrazin-2-yl-2,3-bis(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-4H-pyridazin-1-yl]thiadiazole?

The IUPAC name of 4-[4-pyrazin-2-yl-2,3-bis(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-4H-pyridazin-1-yl]thiadiazole (CID 141397870) is 4-[4-pyrazin-2-yl-2,3-bis(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-4H-pyridazin-1-yl]thiadiazole.

What is the SMILES notation for 4-[4-pyrazin-2-yl-2,3-bis(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-4H-pyridazin-1-yl]thiadiazole?

The canonical SMILES for 4-[4-pyrazin-2-yl-2,3-bis(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-4H-pyridazin-1-yl]thiadiazole is c1ccc(C2=C(c3nn[nH]n3)N(c3csnn3)N(c3ccn[nH]3)C(c3cn[nH]n3)(c3ccn[nH]3)C2c2cnccn2)nc1.

What is the InChIKey of 4-[4-pyrazin-2-yl-2,3-bis(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-4H-pyridazin-1-yl]thiadiazole?

The InChIKey is KSWYONPHEBOXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N18S/c1-2-6-26-14(3-1)20-21(15-11-25-9-10-27-15)24(16-4-7-28-31-16,17-12-30-37-32-17)42(18-5-8-29-33-18)41(19-13-43-40-34-19)22(20)23-35-38-39-36-23/h1-13,21H,(H,28,31)(H,29,33)(H,30,32,37)(H,35,36,38,39).

What are the key properties of 4-[4-pyrazin-2-yl-2,3-bis(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-4H-pyridazin-1-yl]thiadiazole?

4-[4-pyrazin-2-yl-2,3-bis(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-4H-pyridazin-1-yl]thiadiazole has a molecular weight of 590.60 g/mol, XLogP of 1.34, 7 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-pyrazin-2-yl-2,3-bis(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-4H-pyridazin-1-yl]thiadiazole is sourced from PubChem (CID 141397870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).