1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;tetrazine;1,2,3,5-tetrazine;1,2,4,5-tetrazine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole)

C86H94N78O8S8 — CID 158125290

About 1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;tetrazine;1,2,3,5-tetrazine;1,2,4,5-tetrazine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole)

1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;tetrazine;1,2,3,5-tetrazine;1,2,4,5-tetrazine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole) (PubChem CID 158125290) has the molecular formula C86H94N78O8S8 and a molecular weight of 2604.77 g/mol. Its IUPAC name is 1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;tetrazine;1,2,3,5-tetrazine;1,2,4,5-tetrazine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole).

Molecular Properties

• Compound Name: 1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;tetrazine;1,2,3,5-tetrazine;1,2,4,5-tetrazine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole)
• PubChem CID: 158125290
• Molecular Formula: C86H94N78O8S8
• Molecular Weight: 2604.77 g/mol
• Exact Mass: 2602.71
• IUPAC Name: 1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;tetrazine;1,2,3,5-tetrazine;1,2,4,5-tetrazine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole)
• SMILES: C1=CCN=C1.C1=CN=CC1.c1c[nH]cn1.c1ccncc1.c1ccnnc1.c1cn[nH]c1.c1cn[nH]n1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnnnc1.c1cnnnn1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1conn1.c1cscn1.c1csnn1.c1nc[nH]n1.c1nc[nH]n1.c1ncncn1.c1ncnnn1.c1ncon1.c1ncsn1.c1nncnn1.c1nnco1.c1nncs1.c1nnno1.c1nnns1.c1nnon1.c1nnsn1
• InChI: InChI=1S/C5H5N.3C4H4N2.2C4H5N.3C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS.3C2H2N4.4C2H3N3.4C2H2N2O.4C2H2N2S.2CHN3O.2CHN3S/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-6-3-4-1;1-2-4-6-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-5-2-6-4-1;1-3-2-5-6-4-1;1-2-4-6-5-3-1;2*1-3-2-5-4-1;2*1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1;1-2-3-4-5-1;1-2-4-5-3-1;1-2-3-4-5-1;1-2-4-5-3-1/h1-5H;3*1-4H;1,3-4H,2H2;1-3H,4H2;3*1-3H;2*1-3H,(H,4,5);4*1-3H;3*1-2H;4*1-2H,(H,3,4,5);8*1-2H;4*1H
• InChIKey: FSCAKNGOTSKHMD-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 1126.88 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 88
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2604.77
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	88

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;tetrazine;1,2,3,5-tetrazine;1,2,4,5-tetrazine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole)?

The IUPAC name of 1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;tetrazine;1,2,3,5-tetrazine;1,2,4,5-tetrazine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole) (CID 158125290) is 1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;tetrazine;1,2,3,5-tetrazine;1,2,4,5-tetrazine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole).

What is the SMILES notation for 1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;tetrazine;1,2,3,5-tetrazine;1,2,4,5-tetrazine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole)?

The canonical SMILES for 1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;tetrazine;1,2,3,5-tetrazine;1,2,4,5-tetrazine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole) is C1=CCN=C1.C1=CN=CC1.c1c[nH]cn1.c1ccncc1.c1ccnnc1.c1cn[nH]c1.c1cn[nH]n1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnnnc1.c1cnnnn1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1conn1.c1cscn1.c1csnn1.c1nc[nH]n1.c1nc[nH]n1.c1ncncn1.c1ncnnn1.c1ncon1.c1ncsn1.c1nncnn1.c1nnco1.c1nncs1.c1nnno1.c1nnns1.c1nnon1.c1nnsn1.

What is the InChIKey of 1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;tetrazine;1,2,3,5-tetrazine;1,2,4,5-tetrazine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole)?

The InChIKey is FSCAKNGOTSKHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.3C4H4N2.2C4H5N.3C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS.3C2H2N4.4C2H3N3.4C2H2N2O.4C2H2N2S.2CHN3O.2CHN3S/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-6-3-4-1;1-2-4-6-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-5-2-6-4-1;1-3-2-5-6-4-1;1-2-4-6-5-3-1;2*1-3-2-5-4-1;2*1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1;1-2-3-4-5-1;1-2-4-5-3-1;1-2-3-4-5-1;1-2-4-5-3-1/h1-5H;3*1-4H;1,3-4H,2H2;1-3H,4H2;3*1-3H;2*1-3H,(H,4,5);4*1-3H;3*1-2H;4*1-2H,(H,3,4,5);8*1-2H;4*1H.

What are the key properties of 1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;tetrazine;1,2,3,5-tetrazine;1,2,4,5-tetrazine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole)?

1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;tetrazine;1,2,3,5-tetrazine;1,2,4,5-tetrazine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole) has a molecular weight of 2604.77 g/mol, XLogP of 6.43, 0 rotatable bonds, 6 hydrogen bond donors, and 88 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;tetrazine;1,2,3,5-tetrazine;1,2,4,5-tetrazine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole) is sourced from PubChem (CID 158125290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).