1H-benzimidazole;2H-benzotriazole;ethane;1H-imidazole;1H-indazole;pyrazine;1H-pyrazin-2-one;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrimidin-2-one;1H-pyrimidin-6-one;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;1H-quinazolin-2-one;3H-quinazolin-4-one;1H-quinoxalin-2-one;1H-1,2,4-triazole;2H-triazole

C171H176N66O6 — CID 158034131

About 1H-benzimidazole;2H-benzotriazole;ethane;1H-imidazole;1H-indazole;pyrazine;1H-pyrazin-2-one;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrimidin-2-one;1H-pyrimidin-6-one;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;1H-quinazolin-2-one;3H-quinazolin-4-one;1H-quinoxalin-2-one;1H-1,2,4-triazole;2H-triazole

1H-benzimidazole;2H-benzotriazole;ethane;1H-imidazole;1H-indazole;pyrazine;1H-pyrazin-2-one;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrimidin-2-one;1H-pyrimidin-6-one;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;1H-quinazolin-2-one;3H-quinazolin-4-one;1H-quinoxalin-2-one;1H-1,2,4-triazole;2H-triazole (PubChem CID 158034131) has the molecular formula C171H176N66O6 and a molecular weight of 3251.74 g/mol. Its IUPAC name is 1H-benzimidazole;2H-benzotriazole;ethane;1H-imidazole;1H-indazole;pyrazine;1H-pyrazin-2-one;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrimidin-2-one;1H-pyrimidin-6-one;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;1H-quinazolin-2-one;3H-quinazolin-4-one;1H-quinoxalin-2-one;1H-1,2,4-triazole;2H-triazole.

Molecular Properties

• Compound Name: 1H-benzimidazole;2H-benzotriazole;ethane;1H-imidazole;1H-indazole;pyrazine;1H-pyrazin-2-one;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrimidin-2-one;1H-pyrimidin-6-one;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;1H-quinazolin-2-one;3H-quinazolin-4-one;1H-quinoxalin-2-one;1H-1,2,4-triazole;2H-triazole
• PubChem CID: 158034131
• Molecular Formula: C171H176N66O6
• Molecular Weight: 3251.74 g/mol
• Exact Mass: 3249.55
• IUPAC Name: 1H-benzimidazole;2H-benzotriazole;ethane;1H-imidazole;1H-indazole;pyrazine;1H-pyrazin-2-one;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrimidin-2-one;1H-pyrimidin-6-one;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;1H-quinazolin-2-one;3H-quinazolin-4-one;1H-quinoxalin-2-one;1H-1,2,4-triazole;2H-triazole
• SMILES: CC.CC.CC.CC.O=c1[nH]cnc2ccccc12.O=c1ccnc[nH]1.O=c1cnc2ccccc2[nH]1.O=c1cncc[nH]1.O=c1ncc2ccccc2[nH]1.O=c1nccc[nH]1.c1c[nH]cn1.c1cc2[nH]ccc2cn1.c1cc2[nH]ccc2nn1.c1cc2cc[nH]c2cn1.c1cc2cc[nH]c2nn1.c1cc2cnncc2[nH]1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2n[nH]nc2c1.c1ccncc1.c1ccnnc1.c1cn[nH]c1.c1cn[nH]n1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ccc2n1.c1cnc2cc[nH]c2c1.c1cnccn1.c1cncnc1.c1nc[nH]n1.c1ncc2[nH]ccc2n1.c1ncc2cc[nH]c2n1
• InChI: InChI=1S/3C8H6N2O.6C7H6N2.7C6H5N3.C5H5N.3C4H4N2O.3C4H4N2.4C4H5N.2C3H4N2.2C2H3N3.4C2H6/c11-8-6-3-1-2-4-7(6)9-5-10-8;11-8-5-9-6-3-1-2-4-7(6)10-8;11-8-9-5-6-3-1-2-4-7(6)10-8;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-7-5-2-4-8-9-6(1)5;1-3-7-6-5(1)2-4-8-9-6;1-2-8-6-3-7-4-9-5(1)6;1-2-8-6-5(1)3-7-4-9-6;1-2-7-6-4-9-8-3-5(1)6;1-2-8-6-5(1)7-3-4-9-6;1-2-4-6-5(3-1)7-9-8-6;1-2-4-6-5-3-1;7-4-3-5-1-2-6-4;7-4-1-2-5-3-6-4;7-4-5-2-1-3-6-4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;4*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1;4*1-2/h1-5H,(H,9,10,11);1-5H,(H,10,11);1-5H,(H,9,10,11);3*1-5,9H;3*1-5H,(H,8,9);1-4,7H;1-4H,(H,7,9);1-4,8H;1-4H,(H,7,8,9);1-4,7H;1-4H,(H,8,9);1-4H,(H,7,8,9);1-5H;1-3H,(H,6,7);2*1-3H,(H,5,6,7);3*1-4H;4*1-5H;2*1-3H,(H,4,5);2*1-2H,(H,3,4,5);4*1-2H3
• InChIKey: FHNPHDHDOQJXSS-UHFFFAOYSA-N
• XLogP: 29.27
• TPSA: 1031.46 Ų
• H-Bond Donors: 27
• H-Bond Acceptors: 45
• Heavy Atoms: 243
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3251.74
LogP ≤ 5	29.27
H-Bond Donors ≤ 5	27
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;2H-benzotriazole;ethane;1H-imidazole;1H-indazole;pyrazine;1H-pyrazin-2-one;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrimidin-2-one;1H-pyrimidin-6-one;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;1H-quinazolin-2-one;3H-quinazolin-4-one;1H-quinoxalin-2-one;1H-1,2,4-triazole;2H-triazole?

The IUPAC name of 1H-benzimidazole;2H-benzotriazole;ethane;1H-imidazole;1H-indazole;pyrazine;1H-pyrazin-2-one;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrimidin-2-one;1H-pyrimidin-6-one;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;1H-quinazolin-2-one;3H-quinazolin-4-one;1H-quinoxalin-2-one;1H-1,2,4-triazole;2H-triazole (CID 158034131) is 1H-benzimidazole;2H-benzotriazole;ethane;1H-imidazole;1H-indazole;pyrazine;1H-pyrazin-2-one;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrimidin-2-one;1H-pyrimidin-6-one;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;1H-quinazolin-2-one;3H-quinazolin-4-one;1H-quinoxalin-2-one;1H-1,2,4-triazole;2H-triazole.

What is the SMILES notation for 1H-benzimidazole;2H-benzotriazole;ethane;1H-imidazole;1H-indazole;pyrazine;1H-pyrazin-2-one;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrimidin-2-one;1H-pyrimidin-6-one;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;1H-quinazolin-2-one;3H-quinazolin-4-one;1H-quinoxalin-2-one;1H-1,2,4-triazole;2H-triazole?

The canonical SMILES for 1H-benzimidazole;2H-benzotriazole;ethane;1H-imidazole;1H-indazole;pyrazine;1H-pyrazin-2-one;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrimidin-2-one;1H-pyrimidin-6-one;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;1H-quinazolin-2-one;3H-quinazolin-4-one;1H-quinoxalin-2-one;1H-1,2,4-triazole;2H-triazole is CC.CC.CC.CC.O=c1[nH]cnc2ccccc12.O=c1ccnc[nH]1.O=c1cnc2ccccc2[nH]1.O=c1cncc[nH]1.O=c1ncc2ccccc2[nH]1.O=c1nccc[nH]1.c1c[nH]cn1.c1cc2[nH]ccc2cn1.c1cc2[nH]ccc2nn1.c1cc2cc[nH]c2cn1.c1cc2cc[nH]c2nn1.c1cc2cnncc2[nH]1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2n[nH]nc2c1.c1ccncc1.c1ccnnc1.c1cn[nH]c1.c1cn[nH]n1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ccc2n1.c1cnc2cc[nH]c2c1.c1cnccn1.c1cncnc1.c1nc[nH]n1.c1ncc2[nH]ccc2n1.c1ncc2cc[nH]c2n1.

What is the InChIKey of 1H-benzimidazole;2H-benzotriazole;ethane;1H-imidazole;1H-indazole;pyrazine;1H-pyrazin-2-one;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrimidin-2-one;1H-pyrimidin-6-one;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;1H-quinazolin-2-one;3H-quinazolin-4-one;1H-quinoxalin-2-one;1H-1,2,4-triazole;2H-triazole?

The InChIKey is FHNPHDHDOQJXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H6N2O.6C7H6N2.7C6H5N3.C5H5N.3C4H4N2O.3C4H4N2.4C4H5N.2C3H4N2.2C2H3N3.4C2H6/c11-8-6-3-1-2-4-7(6)9-5-10-8;11-8-5-9-6-3-1-2-4-7(6)10-8;11-8-9-5-6-3-1-2-4-7(6)10-8;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-7-5-2-4-8-9-6(1)5;1-3-7-6-5(1)2-4-8-9-6;1-2-8-6-3-7-4-9-5(1)6;1-2-8-6-5(1)3-7-4-9-6;1-2-7-6-4-9-8-3-5(1)6;1-2-8-6-5(1)7-3-4-9-6;1-2-4-6-5(3-1)7-9-8-6;1-2-4-6-5-3-1;7-4-3-5-1-2-6-4;7-4-1-2-5-3-6-4;7-4-5-2-1-3-6-4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;4*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1;4*1-2/h1-5H,(H,9,10,11);1-5H,(H,10,11);1-5H,(H,9,10,11);3*1-5,9H;3*1-5H,(H,8,9);1-4,7H;1-4H,(H,7,9);1-4,8H;1-4H,(H,7,8,9);1-4,7H;1-4H,(H,8,9);1-4H,(H,7,8,9);1-5H;1-3H,(H,6,7);2*1-3H,(H,5,6,7);3*1-4H;4*1-5H;2*1-3H,(H,4,5);2*1-2H,(H,3,4,5);4*1-2H3.

What are the key properties of 1H-benzimidazole;2H-benzotriazole;ethane;1H-imidazole;1H-indazole;pyrazine;1H-pyrazin-2-one;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrimidin-2-one;1H-pyrimidin-6-one;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;1H-quinazolin-2-one;3H-quinazolin-4-one;1H-quinoxalin-2-one;1H-1,2,4-triazole;2H-triazole?

1H-benzimidazole;2H-benzotriazole;ethane;1H-imidazole;1H-indazole;pyrazine;1H-pyrazin-2-one;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrimidin-2-one;1H-pyrimidin-6-one;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;1H-quinazolin-2-one;3H-quinazolin-4-one;1H-quinoxalin-2-one;1H-1,2,4-triazole;2H-triazole has a molecular weight of 3251.74 g/mol, XLogP of 29.27, 0 rotatable bonds, 27 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazole;2H-benzotriazole;ethane;1H-imidazole;1H-indazole;pyrazine;1H-pyrazin-2-one;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrimidin-2-one;1H-pyrimidin-6-one;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;1H-quinazolin-2-one;3H-quinazolin-4-one;1H-quinoxalin-2-one;1H-1,2,4-triazole;2H-triazole is sourced from PubChem (CID 158034131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).