benzene;furan;1H-imidazole;morpholine;oxane;1,3-oxazole;oxolane;piperidine;pyrazine;1H-pyrazole;pyridazine;1H-pyridazin-6-one;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrimidin-6-one;1H-pyrrole;pyrrolidine;2H-thiazine 1,1-dioxide;1,3-thiazole;thiolane;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole)

C102H138N38O10S4 — CID 160929038

About benzene;furan;1H-imidazole;morpholine;oxane;1,3-oxazole;oxolane;piperidine;pyrazine;1H-pyrazole;pyridazine;1H-pyridazin-6-one;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrimidin-6-one;1H-pyrrole;pyrrolidine;2H-thiazine 1,1-dioxide;1,3-thiazole;thiolane;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole)

benzene;furan;1H-imidazole;morpholine;oxane;1,3-oxazole;oxolane;piperidine;pyrazine;1H-pyrazole;pyridazine;1H-pyridazin-6-one;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrimidin-6-one;1H-pyrrole;pyrrolidine;2H-thiazine 1,1-dioxide;1,3-thiazole;thiolane;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole) (PubChem CID 160929038) has the molecular formula C102H138N38O10S4 and a molecular weight of 2184.75 g/mol. Its IUPAC name is benzene;furan;1H-imidazole;morpholine;oxane;1,3-oxazole;oxolane;piperidine;pyrazine;1H-pyrazole;pyridazine;1H-pyridazin-6-one;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrimidin-6-one;1H-pyrrole;pyrrolidine;2H-thiazine 1,1-dioxide;1,3-thiazole;thiolane;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole).

Molecular Properties

• Compound Name: benzene;furan;1H-imidazole;morpholine;oxane;1,3-oxazole;oxolane;piperidine;pyrazine;1H-pyrazole;pyridazine;1H-pyridazin-6-one;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrimidin-6-one;1H-pyrrole;pyrrolidine;2H-thiazine 1,1-dioxide;1,3-thiazole;thiolane;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole)
• PubChem CID: 160929038
• Molecular Formula: C102H138N38O10S4
• Molecular Weight: 2184.75 g/mol
• Exact Mass: 2183.03
• IUPAC Name: benzene;furan;1H-imidazole;morpholine;oxane;1,3-oxazole;oxolane;piperidine;pyrazine;1H-pyrazole;pyridazine;1H-pyridazin-6-one;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrimidin-6-one;1H-pyrrole;pyrrolidine;2H-thiazine 1,1-dioxide;1,3-thiazole;thiolane;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole)
• SMILES: C1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1CCSC1.C1COCCN1.O=S1(=O)C=CC=CN1.O=c1cccc[nH]1.O=c1cccn[nH]1.O=c1ccnc[nH]1.c1c[nH]cn1.c1cc[nH]c1.c1ccccc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnncn1.c1cocn1.c1cscn1.c1nc[nH]n1.c1ncncn1
• InChI: InChI=1S/C6H6.C5H5NO.C5H11N.C5H5N.C5H10O.2C4H4N2O.3C4H4N2.C4H5NO2S.C4H9NO.C4H9N.C4H5N.C4H8O.C4H4O.C4H8S.C4H4S.2C3H3N3.2C3H4N2.C3H3NO.C3H3NS.3C2H3N3/c1-2-4-6-5-3-1;7-5-3-1-2-4-6-5;3*1-2-4-6-5-3-1;7-4-1-2-5-3-6-4;7-4-2-1-3-5-6-4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;6-8(7)4-2-1-3-5-8;1-3-6-4-2-5-1;6*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-6-3-4-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-2-5-4-1;2*1-2-4-5-3-1/h1-6H;1-4H,(H,6,7);6H,1-5H2;1-5H;1-5H2;1-3H,(H,5,6,7);1-3H,(H,6,7);3*1-4H;1-5H;5H,1-4H2;5H,1-4H2;1-5H;1-4H2;1-4H;1-4H2;1-4H;2*1-3H;2*1-3H,(H,4,5);2*1-3H;3*1-2H,(H,3,4,5)
• InChIKey: STACGNXUAHTYGL-UHFFFAOYSA-N
• XLogP: 14.13
• TPSA: 651.80 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 41
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2184.75
LogP ≤ 5	14.13
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of benzene;furan;1H-imidazole;morpholine;oxane;1,3-oxazole;oxolane;piperidine;pyrazine;1H-pyrazole;pyridazine;1H-pyridazin-6-one;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrimidin-6-one;1H-pyrrole;pyrrolidine;2H-thiazine 1,1-dioxide;1,3-thiazole;thiolane;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole)?

The IUPAC name of benzene;furan;1H-imidazole;morpholine;oxane;1,3-oxazole;oxolane;piperidine;pyrazine;1H-pyrazole;pyridazine;1H-pyridazin-6-one;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrimidin-6-one;1H-pyrrole;pyrrolidine;2H-thiazine 1,1-dioxide;1,3-thiazole;thiolane;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole) (CID 160929038) is benzene;furan;1H-imidazole;morpholine;oxane;1,3-oxazole;oxolane;piperidine;pyrazine;1H-pyrazole;pyridazine;1H-pyridazin-6-one;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrimidin-6-one;1H-pyrrole;pyrrolidine;2H-thiazine 1,1-dioxide;1,3-thiazole;thiolane;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole).

What is the SMILES notation for benzene;furan;1H-imidazole;morpholine;oxane;1,3-oxazole;oxolane;piperidine;pyrazine;1H-pyrazole;pyridazine;1H-pyridazin-6-one;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrimidin-6-one;1H-pyrrole;pyrrolidine;2H-thiazine 1,1-dioxide;1,3-thiazole;thiolane;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole)?

The canonical SMILES for benzene;furan;1H-imidazole;morpholine;oxane;1,3-oxazole;oxolane;piperidine;pyrazine;1H-pyrazole;pyridazine;1H-pyridazin-6-one;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrimidin-6-one;1H-pyrrole;pyrrolidine;2H-thiazine 1,1-dioxide;1,3-thiazole;thiolane;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole) is C1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1CCSC1.C1COCCN1.O=S1(=O)C=CC=CN1.O=c1cccc[nH]1.O=c1cccn[nH]1.O=c1ccnc[nH]1.c1c[nH]cn1.c1cc[nH]c1.c1ccccc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnncn1.c1cocn1.c1cscn1.c1nc[nH]n1.c1ncncn1.

What is the InChIKey of benzene;furan;1H-imidazole;morpholine;oxane;1,3-oxazole;oxolane;piperidine;pyrazine;1H-pyrazole;pyridazine;1H-pyridazin-6-one;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrimidin-6-one;1H-pyrrole;pyrrolidine;2H-thiazine 1,1-dioxide;1,3-thiazole;thiolane;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole)?

The InChIKey is STACGNXUAHTYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H5NO.C5H11N.C5H5N.C5H10O.2C4H4N2O.3C4H4N2.C4H5NO2S.C4H9NO.C4H9N.C4H5N.C4H8O.C4H4O.C4H8S.C4H4S.2C3H3N3.2C3H4N2.C3H3NO.C3H3NS.3C2H3N3/c1-2-4-6-5-3-1;7-5-3-1-2-4-6-5;3*1-2-4-6-5-3-1;7-4-1-2-5-3-6-4;7-4-2-1-3-5-6-4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;6-8(7)4-2-1-3-5-8;1-3-6-4-2-5-1;6*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-6-3-4-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-2-5-4-1;2*1-2-4-5-3-1/h1-6H;1-4H,(H,6,7);6H,1-5H2;1-5H;1-5H2;1-3H,(H,5,6,7);1-3H,(H,6,7);3*1-4H;1-5H;5H,1-4H2;5H,1-4H2;1-5H;1-4H2;1-4H;1-4H2;1-4H;2*1-3H;2*1-3H,(H,4,5);2*1-3H;3*1-2H,(H,3,4,5).

What are the key properties of benzene;furan;1H-imidazole;morpholine;oxane;1,3-oxazole;oxolane;piperidine;pyrazine;1H-pyrazole;pyridazine;1H-pyridazin-6-one;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrimidin-6-one;1H-pyrrole;pyrrolidine;2H-thiazine 1,1-dioxide;1,3-thiazole;thiolane;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole)?

benzene;furan;1H-imidazole;morpholine;oxane;1,3-oxazole;oxolane;piperidine;pyrazine;1H-pyrazole;pyridazine;1H-pyridazin-6-one;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrimidin-6-one;1H-pyrrole;pyrrolidine;2H-thiazine 1,1-dioxide;1,3-thiazole;thiolane;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole) has a molecular weight of 2184.75 g/mol, XLogP of 14.13, 0 rotatable bonds, 13 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;furan;1H-imidazole;morpholine;oxane;1,3-oxazole;oxolane;piperidine;pyrazine;1H-pyrazole;pyridazine;1H-pyridazin-6-one;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrimidin-6-one;1H-pyrrole;pyrrolidine;2H-thiazine 1,1-dioxide;1,3-thiazole;thiolane;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole) is sourced from PubChem (CID 160929038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).