1-benzofuran;1-benzothiophene;2H-benzotriazole;dibenzofuran;furan;1H-imidazole;1H-indazole;1H-indole;indolizine;2H-isoindole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2,4,5-tetrazine;2H-tetrazole;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;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole

C160H150N78O10S10 — CID 159175360

About 1-benzofuran;1-benzothiophene;2H-benzotriazole;dibenzofuran;furan;1H-imidazole;1H-indazole;1H-indole;indolizine;2H-isoindole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2,4,5-tetrazine;2H-tetrazole;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;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole

1-benzofuran;1-benzothiophene;2H-benzotriazole;dibenzofuran;furan;1H-imidazole;1H-indazole;1H-indole;indolizine;2H-isoindole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2,4,5-tetrazine;2H-tetrazole;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;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole (PubChem CID 159175360) has the molecular formula C160H150N78O10S10 and a molecular weight of 3646.17 g/mol. Its IUPAC name is 1-benzofuran;1-benzothiophene;2H-benzotriazole;dibenzofuran;furan;1H-imidazole;1H-indazole;1H-indole;indolizine;2H-isoindole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2,4,5-tetrazine;2H-tetrazole;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;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole.

Molecular Properties

• Compound Name: 1-benzofuran;1-benzothiophene;2H-benzotriazole;dibenzofuran;furan;1H-imidazole;1H-indazole;1H-indole;indolizine;2H-isoindole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2,4,5-tetrazine;2H-tetrazole;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;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
• PubChem CID: 159175360
• Molecular Formula: C160H150N78O10S10
• Molecular Weight: 3646.17 g/mol
• Exact Mass: 3643.08
• IUPAC Name: 1-benzofuran;1-benzothiophene;2H-benzotriazole;dibenzofuran;furan;1H-imidazole;1H-indazole;1H-indole;indolizine;2H-isoindole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2,4,5-tetrazine;2H-tetrazole;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;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
• SMILES: c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)oc1ccccc12.c1ccc2c[nH]cc2c1.c1ccc2n[nH]nc2c1.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccn2cccc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnnnc1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1cscn1.c1csnn1.c1nc[nH]n1.c1ncc2[nH]cnc2n1.c1ncncn1.c1ncon1.c1ncsn1.c1nn[nH]n1.c1nncnn1.c1nnco1.c1nncs1.c1nnno1.c1nnns1.c1nnon1.c1nnsn1
• InChI: InChI=1S/C12H8O.C9H7N.3C8H7N.C8H6O.C8H6S.C7H6N2.C6H5N3.C5H4N4.C5H5N.3C4H4N2.C4H5N.C4H4O.C4H4S.3C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS.C2H2N4.2C2H3N3.3C2H2N2O.4C2H2N2S.CH2N4.2CHN3O.2CHN3S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-6-9-8(4-1)5-3-7-10-9;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5(3-1)7-9-8-6;1-4-5(8-2-6-1)9-3-7-4;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*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;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;2*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/h1-8H;1-7H;1-7H;2*1-6,9H;2*1-6H;1-5H,(H,8,9);1-4H,(H,7,8,9);1-3H,(H,6,7,8,9);1-5H;3*1-4H;1-5H;2*1-4H;3*1-3H;2*1-3H,(H,4,5);4*1-3H;1-2H;2*1-2H,(H,3,4,5);7*1-2H;1H,(H,2,3,4,5);4*1H
• InChIKey: KMEZJRJCAVIBQJ-UHFFFAOYSA-N
• XLogP: 30.16
• TPSA: 1160.24 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 87
• Heavy Atoms: 258
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3646.17
LogP ≤ 5	30.16
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	87

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;1-benzothiophene;2H-benzotriazole;dibenzofuran;furan;1H-imidazole;1H-indazole;1H-indole;indolizine;2H-isoindole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2,4,5-tetrazine;2H-tetrazole;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;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole?

The IUPAC name of 1-benzofuran;1-benzothiophene;2H-benzotriazole;dibenzofuran;furan;1H-imidazole;1H-indazole;1H-indole;indolizine;2H-isoindole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2,4,5-tetrazine;2H-tetrazole;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;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole (CID 159175360) is 1-benzofuran;1-benzothiophene;2H-benzotriazole;dibenzofuran;furan;1H-imidazole;1H-indazole;1H-indole;indolizine;2H-isoindole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2,4,5-tetrazine;2H-tetrazole;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;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole.

What is the SMILES notation for 1-benzofuran;1-benzothiophene;2H-benzotriazole;dibenzofuran;furan;1H-imidazole;1H-indazole;1H-indole;indolizine;2H-isoindole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2,4,5-tetrazine;2H-tetrazole;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;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole?

The canonical SMILES for 1-benzofuran;1-benzothiophene;2H-benzotriazole;dibenzofuran;furan;1H-imidazole;1H-indazole;1H-indole;indolizine;2H-isoindole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2,4,5-tetrazine;2H-tetrazole;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;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole is c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)oc1ccccc12.c1ccc2c[nH]cc2c1.c1ccc2n[nH]nc2c1.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccn2cccc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnnnc1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1cscn1.c1csnn1.c1nc[nH]n1.c1ncc2[nH]cnc2n1.c1ncncn1.c1ncon1.c1ncsn1.c1nn[nH]n1.c1nncnn1.c1nnco1.c1nncs1.c1nnno1.c1nnns1.c1nnon1.c1nnsn1.

What is the InChIKey of 1-benzofuran;1-benzothiophene;2H-benzotriazole;dibenzofuran;furan;1H-imidazole;1H-indazole;1H-indole;indolizine;2H-isoindole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2,4,5-tetrazine;2H-tetrazole;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;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole?

The InChIKey is KMEZJRJCAVIBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O.C9H7N.3C8H7N.C8H6O.C8H6S.C7H6N2.C6H5N3.C5H4N4.C5H5N.3C4H4N2.C4H5N.C4H4O.C4H4S.3C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS.C2H2N4.2C2H3N3.3C2H2N2O.4C2H2N2S.CH2N4.2CHN3O.2CHN3S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-6-9-8(4-1)5-3-7-10-9;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5(3-1)7-9-8-6;1-4-5(8-2-6-1)9-3-7-4;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*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;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;2*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/h1-8H;1-7H;1-7H;2*1-6,9H;2*1-6H;1-5H,(H,8,9);1-4H,(H,7,8,9);1-3H,(H,6,7,8,9);1-5H;3*1-4H;1-5H;2*1-4H;3*1-3H;2*1-3H,(H,4,5);4*1-3H;1-2H;2*1-2H,(H,3,4,5);7*1-2H;1H,(H,2,3,4,5);4*1H.

What are the key properties of 1-benzofuran;1-benzothiophene;2H-benzotriazole;dibenzofuran;furan;1H-imidazole;1H-indazole;1H-indole;indolizine;2H-isoindole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2,4,5-tetrazine;2H-tetrazole;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;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole?

1-benzofuran;1-benzothiophene;2H-benzotriazole;dibenzofuran;furan;1H-imidazole;1H-indazole;1H-indole;indolizine;2H-isoindole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2,4,5-tetrazine;2H-tetrazole;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;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole has a molecular weight of 3646.17 g/mol, XLogP of 30.16, 0 rotatable bonds, 11 hydrogen bond donors, and 87 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzofuran;1-benzothiophene;2H-benzotriazole;dibenzofuran;furan;1H-imidazole;1H-indazole;1H-indole;indolizine;2H-isoindole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2,4,5-tetrazine;2H-tetrazole;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;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole is sourced from PubChem (CID 159175360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).