bis(1H-imidazole);pyrazine;1H-pyrazole;pyridazine;tris(pyridine);bis(pyrimidine);1H-pyrrole;2H-tetrazole;bis(thiadiazole);1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole

C72H79N43S8 — CID 159515777

About bis(1H-imidazole);pyrazine;1H-pyrazole;pyridazine;tris(pyridine);bis(pyrimidine);1H-pyrrole;2H-tetrazole;bis(thiadiazole);1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole

bis(1H-imidazole);pyrazine;1H-pyrazole;pyridazine;tris(pyridine);bis(pyrimidine);1H-pyrrole;2H-tetrazole;bis(thiadiazole);1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole (PubChem CID 159515777) has the molecular formula C72H79N43S8 and a molecular weight of 1803.26 g/mol. Its IUPAC name is bis(1H-imidazole);pyrazine;1H-pyrazole;pyridazine;tris(pyridine);bis(pyrimidine);1H-pyrrole;2H-tetrazole;bis(thiadiazole);1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole.

Molecular Properties

• Compound Name: bis(1H-imidazole);pyrazine;1H-pyrazole;pyridazine;tris(pyridine);bis(pyrimidine);1H-pyrrole;2H-tetrazole;bis(thiadiazole);1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole
• PubChem CID: 159515777
• Molecular Formula: C72H79N43S8
• Molecular Weight: 1803.26 g/mol
• Exact Mass: 1801.53
• IUPAC Name: bis(1H-imidazole);pyrazine;1H-pyrazole;pyridazine;tris(pyridine);bis(pyrimidine);1H-pyrrole;2H-tetrazole;bis(thiadiazole);1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole
• SMILES: c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccnnc1.c1ccnnc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cncnc1.c1cnsn1.c1cscn1.c1cscn1.c1cscn1.c1csnn1.c1csnn1.c1nc[nH]n1.c1ncsn1.c1nn[nH]n1.c1nncs1
• InChI: InChI=1S/3C5H5N.5C4H4N2.C4H5N.3C3H4N2.3C3H3NS.2C2H3N3.5C2H2N2S.CH2N4/c3*1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-2-5-4-6-3-1;2*1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;3*1-2-5-3-4-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;2*1-2-5-4-3-1;2*1-2-4-5-3-1/h3*1-5H;5*1-4H;1-5H;3*1-3H,(H,4,5);3*1-3H;2*1-2H,(H,3,4,5);5*1-2H;1H,(H,2,3,4,5)
• InChIKey: MBEFXPZTSRBXHM-UHFFFAOYSA-N
• XLogP: 12.80
• TPSA: 574.57 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 44
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1803.26
LogP ≤ 5	12.80
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of bis(1H-imidazole);pyrazine;1H-pyrazole;pyridazine;tris(pyridine);bis(pyrimidine);1H-pyrrole;2H-tetrazole;bis(thiadiazole);1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole?

The IUPAC name of bis(1H-imidazole);pyrazine;1H-pyrazole;pyridazine;tris(pyridine);bis(pyrimidine);1H-pyrrole;2H-tetrazole;bis(thiadiazole);1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole (CID 159515777) is bis(1H-imidazole);pyrazine;1H-pyrazole;pyridazine;tris(pyridine);bis(pyrimidine);1H-pyrrole;2H-tetrazole;bis(thiadiazole);1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole.

What is the SMILES notation for bis(1H-imidazole);pyrazine;1H-pyrazole;pyridazine;tris(pyridine);bis(pyrimidine);1H-pyrrole;2H-tetrazole;bis(thiadiazole);1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole?

The canonical SMILES for bis(1H-imidazole);pyrazine;1H-pyrazole;pyridazine;tris(pyridine);bis(pyrimidine);1H-pyrrole;2H-tetrazole;bis(thiadiazole);1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole is c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccnnc1.c1ccnnc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cncnc1.c1cnsn1.c1cscn1.c1cscn1.c1cscn1.c1csnn1.c1csnn1.c1nc[nH]n1.c1ncsn1.c1nn[nH]n1.c1nncs1.

What is the InChIKey of bis(1H-imidazole);pyrazine;1H-pyrazole;pyridazine;tris(pyridine);bis(pyrimidine);1H-pyrrole;2H-tetrazole;bis(thiadiazole);1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole?

The InChIKey is MBEFXPZTSRBXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H5N.5C4H4N2.C4H5N.3C3H4N2.3C3H3NS.2C2H3N3.5C2H2N2S.CH2N4/c3*1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-2-5-4-6-3-1;2*1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;3*1-2-5-3-4-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;2*1-2-5-4-3-1;2*1-2-4-5-3-1/h3*1-5H;5*1-4H;1-5H;3*1-3H,(H,4,5);3*1-3H;2*1-2H,(H,3,4,5);5*1-2H;1H,(H,2,3,4,5).

What are the key properties of bis(1H-imidazole);pyrazine;1H-pyrazole;pyridazine;tris(pyridine);bis(pyrimidine);1H-pyrrole;2H-tetrazole;bis(thiadiazole);1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole?

bis(1H-imidazole);pyrazine;1H-pyrazole;pyridazine;tris(pyridine);bis(pyrimidine);1H-pyrrole;2H-tetrazole;bis(thiadiazole);1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole has a molecular weight of 1803.26 g/mol, XLogP of 12.80, 0 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1H-imidazole);pyrazine;1H-pyrazole;pyridazine;tris(pyridine);bis(pyrimidine);1H-pyrrole;2H-tetrazole;bis(thiadiazole);1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole is sourced from PubChem (CID 159515777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).