1H-benzimidazole;2H-benzotriazole;1,3-benzoxazole;1,2-dihydropyridine;1,4-dihydropyridine;2,3-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,2,4-triazine;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;morpholine;1,2-oxazole;1,3-oxazolidine;1-oxidopyridin-1-ium;piperazine;piperidine;pyrazine;1H-pyrazole;pyrazolidine;pyridazine;pyridine;pyrimidine;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;quinoline;2H-tetrazole;1,3,4-thiadiazole;1,4-thiazinane 1,1-dioxide;1,3-thiazole;thiomorpholine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole

C160H203N67O8S5 — CID 157448304

About 1H-benzimidazole;2H-benzotriazole;1,3-benzoxazole;1,2-dihydropyridine;1,4-dihydropyridine;2,3-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,2,4-triazine;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;morpholine;1,2-oxazole;1,3-oxazolidine;1-oxidopyridin-1-ium;piperazine;piperidine;pyrazine;1H-pyrazole;pyrazolidine;pyridazine;pyridine;pyrimidine;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;quinoline;2H-tetrazole;1,3,4-thiadiazole;1,4-thiazinane 1,1-dioxide;1,3-thiazole;thiomorpholine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole

1H-benzimidazole;2H-benzotriazole;1,3-benzoxazole;1,2-dihydropyridine;1,4-dihydropyridine;2,3-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,2,4-triazine;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;morpholine;1,2-oxazole;1,3-oxazolidine;1-oxidopyridin-1-ium;piperazine;piperidine;pyrazine;1H-pyrazole;pyrazolidine;pyridazine;pyridine;pyrimidine;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;quinoline;2H-tetrazole;1,3,4-thiadiazole;1,4-thiazinane 1,1-dioxide;1,3-thiazole;thiomorpholine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole (PubChem CID 157448304) has the molecular formula C160H203N67O8S5 and a molecular weight of 3353.18 g/mol. Its IUPAC name is 1H-benzimidazole;2H-benzotriazole;1,3-benzoxazole;1,2-dihydropyridine;1,4-dihydropyridine;2,3-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,2,4-triazine;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;morpholine;1,2-oxazole;1,3-oxazolidine;1-oxidopyridin-1-ium;piperazine;piperidine;pyrazine;1H-pyrazole;pyrazolidine;pyridazine;pyridine;pyrimidine;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;quinoline;2H-tetrazole;1,3,4-thiadiazole;1,4-thiazinane 1,1-dioxide;1,3-thiazole;thiomorpholine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole.

Molecular Properties

• Compound Name: 1H-benzimidazole;2H-benzotriazole;1,3-benzoxazole;1,2-dihydropyridine;1,4-dihydropyridine;2,3-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,2,4-triazine;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;morpholine;1,2-oxazole;1,3-oxazolidine;1-oxidopyridin-1-ium;piperazine;piperidine;pyrazine;1H-pyrazole;pyrazolidine;pyridazine;pyridine;pyrimidine;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;quinoline;2H-tetrazole;1,3,4-thiadiazole;1,4-thiazinane 1,1-dioxide;1,3-thiazole;thiomorpholine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
• PubChem CID: 157448304
• Molecular Formula: C160H203N67O8S5
• Molecular Weight: 3353.18 g/mol
• Exact Mass: 3350.61
• IUPAC Name: 1H-benzimidazole;2H-benzotriazole;1,3-benzoxazole;1,2-dihydropyridine;1,4-dihydropyridine;2,3-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,2,4-triazine;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;morpholine;1,2-oxazole;1,3-oxazolidine;1-oxidopyridin-1-ium;piperazine;piperidine;pyrazine;1H-pyrazole;pyrazolidine;pyridazine;pyridine;pyrimidine;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;quinoline;2H-tetrazole;1,3,4-thiadiazole;1,4-thiazinane 1,1-dioxide;1,3-thiazole;thiomorpholine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
• SMILES: C1=CCNC=C1.C1=CNC=CC1.C1=NCNN=C1.C1=NNCS1.C1CCNC1.C1CCNCC1.C1CNCCN1.C1CNNC1.C1COCCN1.C1COCN1.C1CSCCN1.O=S1(=O)CCNCC1.[O-][n+]1ccccc1.c1c[nH]cn1.c1cc2nc[nH]c2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2n[nH]nc2c1.c1ccc2ncccc2c1.c1ccc2ocnc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1cn[nH]c1.c1cn[nH]n1.c1cnc2[nH]ccc2c1.c1cnc2nc[nH]c2c1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnoc1.c1cscn1.c1nc[nH]n1.c1ncncn1.c1nn[nH]n1.c1nncs1
• InChI: InChI=1S/C9H7N.C8H7N.3C7H6N2.C7H5NO.3C6H5N3.C5H5NO.C5H11N.2C5H7N.C5H5N.C4H10N2.3C4H4N2.C4H9NO2S.C4H9NO.C4H9NS.C4H9N.C4H4O.C3H3N3.C3H5N3.C3H3N3.C3H4N2.C3H8N2.C3H4N2.C3H7NO.C3H3NO.C3H3NS.2C2H3N3.C2H4N2S.C2H2N2S.CH2N4/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)5-6-9-8;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;1-2-4-7-6(3-1)8-5-9-7;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)9-4-8-5;1-2-4-6-5(3-1)7-9-8-6;7-6-4-2-1-3-5-6;4*1-2-4-6-5-3-1;2*1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;6-8(7)3-1-5-2-4-8;2*1-3-6-4-2-5-1;2*1-2-4-5-3-1;1-4-2-6-3-5-1;2*1-2-5-6-3-4-1;1-2-5-3-4-1;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;1-2-4-5-3-1;2*1-3-4-2-5-1;1-2-4-5-3-1/h1-7H;1-6,9H;3*1-5H,(H,8,9);1-5H;1-4H,(H,8,9);2*1-4H,(H,7,8,9);1-5H;6H,1-5H2;2-6H,1H2;1-4,6H,5H2;1-5H;5-6H,1-4H2;3*1-4H;5H,1-4H2;2*5H,1-4H2;5H,1-4H2;1-4H;1-3H;1-2,6H,3H2;1-3H;1-3H,(H,4,5);4-5H,1-3H2;1-3H,(H,4,5);4H,1-3H2;2*1-3H;2*1-2H,(H,3,4,5);1,4H,2H2;1-2H;1H,(H,2,3,4,5)
• InChIKey: NEIBFNLXYIRSEX-UHFFFAOYSA-N
• XLogP: 19.42
• TPSA: 990.87 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 66
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3353.18
LogP ≤ 5	19.42
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	66

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;2H-benzotriazole;1,3-benzoxazole;1,2-dihydropyridine;1,4-dihydropyridine;2,3-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,2,4-triazine;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;morpholine;1,2-oxazole;1,3-oxazolidine;1-oxidopyridin-1-ium;piperazine;piperidine;pyrazine;1H-pyrazole;pyrazolidine;pyridazine;pyridine;pyrimidine;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;quinoline;2H-tetrazole;1,3,4-thiadiazole;1,4-thiazinane 1,1-dioxide;1,3-thiazole;thiomorpholine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole?

The IUPAC name of 1H-benzimidazole;2H-benzotriazole;1,3-benzoxazole;1,2-dihydropyridine;1,4-dihydropyridine;2,3-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,2,4-triazine;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;morpholine;1,2-oxazole;1,3-oxazolidine;1-oxidopyridin-1-ium;piperazine;piperidine;pyrazine;1H-pyrazole;pyrazolidine;pyridazine;pyridine;pyrimidine;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;quinoline;2H-tetrazole;1,3,4-thiadiazole;1,4-thiazinane 1,1-dioxide;1,3-thiazole;thiomorpholine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole (CID 157448304) is 1H-benzimidazole;2H-benzotriazole;1,3-benzoxazole;1,2-dihydropyridine;1,4-dihydropyridine;2,3-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,2,4-triazine;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;morpholine;1,2-oxazole;1,3-oxazolidine;1-oxidopyridin-1-ium;piperazine;piperidine;pyrazine;1H-pyrazole;pyrazolidine;pyridazine;pyridine;pyrimidine;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;quinoline;2H-tetrazole;1,3,4-thiadiazole;1,4-thiazinane 1,1-dioxide;1,3-thiazole;thiomorpholine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole.

What is the SMILES notation for 1H-benzimidazole;2H-benzotriazole;1,3-benzoxazole;1,2-dihydropyridine;1,4-dihydropyridine;2,3-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,2,4-triazine;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;morpholine;1,2-oxazole;1,3-oxazolidine;1-oxidopyridin-1-ium;piperazine;piperidine;pyrazine;1H-pyrazole;pyrazolidine;pyridazine;pyridine;pyrimidine;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;quinoline;2H-tetrazole;1,3,4-thiadiazole;1,4-thiazinane 1,1-dioxide;1,3-thiazole;thiomorpholine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole?

The canonical SMILES for 1H-benzimidazole;2H-benzotriazole;1,3-benzoxazole;1,2-dihydropyridine;1,4-dihydropyridine;2,3-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,2,4-triazine;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;morpholine;1,2-oxazole;1,3-oxazolidine;1-oxidopyridin-1-ium;piperazine;piperidine;pyrazine;1H-pyrazole;pyrazolidine;pyridazine;pyridine;pyrimidine;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;quinoline;2H-tetrazole;1,3,4-thiadiazole;1,4-thiazinane 1,1-dioxide;1,3-thiazole;thiomorpholine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole is C1=CCNC=C1.C1=CNC=CC1.C1=NCNN=C1.C1=NNCS1.C1CCNC1.C1CCNCC1.C1CNCCN1.C1CNNC1.C1COCCN1.C1COCN1.C1CSCCN1.O=S1(=O)CCNCC1.[O-][n+]1ccccc1.c1c[nH]cn1.c1cc2nc[nH]c2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2n[nH]nc2c1.c1ccc2ncccc2c1.c1ccc2ocnc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1cn[nH]c1.c1cn[nH]n1.c1cnc2[nH]ccc2c1.c1cnc2nc[nH]c2c1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnoc1.c1cscn1.c1nc[nH]n1.c1ncncn1.c1nn[nH]n1.c1nncs1.

What is the InChIKey of 1H-benzimidazole;2H-benzotriazole;1,3-benzoxazole;1,2-dihydropyridine;1,4-dihydropyridine;2,3-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,2,4-triazine;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;morpholine;1,2-oxazole;1,3-oxazolidine;1-oxidopyridin-1-ium;piperazine;piperidine;pyrazine;1H-pyrazole;pyrazolidine;pyridazine;pyridine;pyrimidine;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;quinoline;2H-tetrazole;1,3,4-thiadiazole;1,4-thiazinane 1,1-dioxide;1,3-thiazole;thiomorpholine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole?

The InChIKey is NEIBFNLXYIRSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C8H7N.3C7H6N2.C7H5NO.3C6H5N3.C5H5NO.C5H11N.2C5H7N.C5H5N.C4H10N2.3C4H4N2.C4H9NO2S.C4H9NO.C4H9NS.C4H9N.C4H4O.C3H3N3.C3H5N3.C3H3N3.C3H4N2.C3H8N2.C3H4N2.C3H7NO.C3H3NO.C3H3NS.2C2H3N3.C2H4N2S.C2H2N2S.CH2N4/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)5-6-9-8;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;1-2-4-7-6(3-1)8-5-9-7;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)9-4-8-5;1-2-4-6-5(3-1)7-9-8-6;7-6-4-2-1-3-5-6;4*1-2-4-6-5-3-1;2*1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;6-8(7)3-1-5-2-4-8;2*1-3-6-4-2-5-1;2*1-2-4-5-3-1;1-4-2-6-3-5-1;2*1-2-5-6-3-4-1;1-2-5-3-4-1;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;1-2-4-5-3-1;2*1-3-4-2-5-1;1-2-4-5-3-1/h1-7H;1-6,9H;3*1-5H,(H,8,9);1-5H;1-4H,(H,8,9);2*1-4H,(H,7,8,9);1-5H;6H,1-5H2;2-6H,1H2;1-4,6H,5H2;1-5H;5-6H,1-4H2;3*1-4H;5H,1-4H2;2*5H,1-4H2;5H,1-4H2;1-4H;1-3H;1-2,6H,3H2;1-3H;1-3H,(H,4,5);4-5H,1-3H2;1-3H,(H,4,5);4H,1-3H2;2*1-3H;2*1-2H,(H,3,4,5);1,4H,2H2;1-2H;1H,(H,2,3,4,5).

What are the key properties of 1H-benzimidazole;2H-benzotriazole;1,3-benzoxazole;1,2-dihydropyridine;1,4-dihydropyridine;2,3-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,2,4-triazine;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;morpholine;1,2-oxazole;1,3-oxazolidine;1-oxidopyridin-1-ium;piperazine;piperidine;pyrazine;1H-pyrazole;pyrazolidine;pyridazine;pyridine;pyrimidine;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;quinoline;2H-tetrazole;1,3,4-thiadiazole;1,4-thiazinane 1,1-dioxide;1,3-thiazole;thiomorpholine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole?

1H-benzimidazole;2H-benzotriazole;1,3-benzoxazole;1,2-dihydropyridine;1,4-dihydropyridine;2,3-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,2,4-triazine;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;morpholine;1,2-oxazole;1,3-oxazolidine;1-oxidopyridin-1-ium;piperazine;piperidine;pyrazine;1H-pyrazole;pyrazolidine;pyridazine;pyridine;pyrimidine;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;quinoline;2H-tetrazole;1,3,4-thiadiazole;1,4-thiazinane 1,1-dioxide;1,3-thiazole;thiomorpholine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole has a molecular weight of 3353.18 g/mol, XLogP of 19.42, 0 rotatable bonds, 26 hydrogen bond donors, and 66 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazole;2H-benzotriazole;1,3-benzoxazole;1,2-dihydropyridine;1,4-dihydropyridine;2,3-dihydro-1,3,4-thiadiazole;2,3-dihydro-1,2,4-triazine;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-imidazole;1H-indazole;1H-indole;morpholine;1,2-oxazole;1,3-oxazolidine;1-oxidopyridin-1-ium;piperazine;piperidine;pyrazine;1H-pyrazole;pyrazolidine;pyridazine;pyridine;pyrimidine;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;quinoline;2H-tetrazole;1,3,4-thiadiazole;1,4-thiazinane 1,1-dioxide;1,3-thiazole;thiomorpholine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole is sourced from PubChem (CID 157448304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).