benzene;1,3-diazinan-2-one;1H-imidazole;imidazolidin-2-one;1,3,4-oxadiazole;1,3-oxazinan-2-one;1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;piperidin-2-one;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidin-2-one;2H-tetrazole;1,3,4-thiadiazole;1,2,5-thiadiazolidine 1,1-dioxide;bis(thiazinane 1,1-dioxide);1,2-thiazole;1,3-thiazole;1,2-thiazolidine 1,1-dioxide;1H-1,2,4-triazole;2H-triazole

C90H133N43O19S7 — CID 160852332

About benzene;1,3-diazinan-2-one;1H-imidazole;imidazolidin-2-one;1,3,4-oxadiazole;1,3-oxazinan-2-one;1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;piperidin-2-one;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidin-2-one;2H-tetrazole;1,3,4-thiadiazole;1,2,5-thiadiazolidine 1,1-dioxide;bis(thiazinane 1,1-dioxide);1,2-thiazole;1,3-thiazole;1,2-thiazolidine 1,1-dioxide;1H-1,2,4-triazole;2H-triazole

benzene;1,3-diazinan-2-one;1H-imidazole;imidazolidin-2-one;1,3,4-oxadiazole;1,3-oxazinan-2-one;1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;piperidin-2-one;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidin-2-one;2H-tetrazole;1,3,4-thiadiazole;1,2,5-thiadiazolidine 1,1-dioxide;bis(thiazinane 1,1-dioxide);1,2-thiazole;1,3-thiazole;1,2-thiazolidine 1,1-dioxide;1H-1,2,4-triazole;2H-triazole (PubChem CID 160852332) has the molecular formula C90H133N43O19S7 and a molecular weight of 2345.80 g/mol. Its IUPAC name is benzene;1,3-diazinan-2-one;1H-imidazole;imidazolidin-2-one;1,3,4-oxadiazole;1,3-oxazinan-2-one;1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;piperidin-2-one;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidin-2-one;2H-tetrazole;1,3,4-thiadiazole;1,2,5-thiadiazolidine 1,1-dioxide;bis(thiazinane 1,1-dioxide);1,2-thiazole;1,3-thiazole;1,2-thiazolidine 1,1-dioxide;1H-1,2,4-triazole;2H-triazole.

Molecular Properties

• Compound Name: benzene;1,3-diazinan-2-one;1H-imidazole;imidazolidin-2-one;1,3,4-oxadiazole;1,3-oxazinan-2-one;1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;piperidin-2-one;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidin-2-one;2H-tetrazole;1,3,4-thiadiazole;1,2,5-thiadiazolidine 1,1-dioxide;bis(thiazinane 1,1-dioxide);1,2-thiazole;1,3-thiazole;1,2-thiazolidine 1,1-dioxide;1H-1,2,4-triazole;2H-triazole
• PubChem CID: 160852332
• Molecular Formula: C90H133N43O19S7
• Molecular Weight: 2345.80 g/mol
• Exact Mass: 2343.88
• IUPAC Name: benzene;1,3-diazinan-2-one;1H-imidazole;imidazolidin-2-one;1,3,4-oxadiazole;1,3-oxazinan-2-one;1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;piperidin-2-one;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidin-2-one;2H-tetrazole;1,3,4-thiadiazole;1,2,5-thiadiazolidine 1,1-dioxide;bis(thiazinane 1,1-dioxide);1,2-thiazole;1,3-thiazole;1,2-thiazolidine 1,1-dioxide;1H-1,2,4-triazole;2H-triazole
• SMILES: O=C1CCCCN1.O=C1CCCN1.O=C1NCCCN1.O=C1NCCCO1.O=C1NCCN1.O=C1NCCO1.O=S1(=O)CCCCN1.O=S1(=O)CCCCN1.O=S1(=O)CCCN1.O=S1(=O)NCCN1.c1c[nH]cn1.c1cc[nH]c1.c1ccccc1.c1ccncc1.c1ccnnc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1nn[nH]n1.c1nnco1.c1nncs1
• InChI: InChI=1S/C6H6.C5H9NO.C5H5N.C4H8N2O.3C4H4N2.2C4H9NO2S.C4H7NO2.C4H7NO.C4H5N.C3H6N2O.2C3H4N2.C3H7NO2S.C3H5NO2.2C3H3NO.2C3H3NS.2C2H3N3.C2H6N2O2S.C2H2N2O.C2H2N2S.CH2N4/c1-2-4-6-5-3-1;7-5-3-1-2-4-6-5;1-2-4-6-5-3-1;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;2*6-8(7)4-2-1-3-5-8;6-4-5-2-1-3-7-4;6-4-2-1-3-5-4;1-2-4-5-3-1;6-3-4-1-2-5-3;1-2-5-3-4-1;1-2-4-5-3-1;5-7(6)3-1-2-4-7;5-3-4-1-2-6-3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1;5-7(6)3-1-2-4-7;2*1-3-4-2-5-1;1-2-4-5-3-1/h1-6H;1-4H2,(H,6,7);1-5H;1-3H2,(H2,5,6,7);3*1-4H;2*5H,1-4H2;1-3H2,(H,5,6);1-3H2,(H,5,6);1-5H;1-2H2,(H2,4,5,6);2*1-3H,(H,4,5);4H,1-3H2;1-2H2,(H,4,5);4*1-3H;2*1-2H,(H,3,4,5);3-4H,1-2H2;2*1-2H;1H,(H,2,3,4,5)
• InChIKey: SJKNSZWVZDAATN-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 857.35 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 46
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2345.80
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of benzene;1,3-diazinan-2-one;1H-imidazole;imidazolidin-2-one;1,3,4-oxadiazole;1,3-oxazinan-2-one;1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;piperidin-2-one;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidin-2-one;2H-tetrazole;1,3,4-thiadiazole;1,2,5-thiadiazolidine 1,1-dioxide;bis(thiazinane 1,1-dioxide);1,2-thiazole;1,3-thiazole;1,2-thiazolidine 1,1-dioxide;1H-1,2,4-triazole;2H-triazole?

The IUPAC name of benzene;1,3-diazinan-2-one;1H-imidazole;imidazolidin-2-one;1,3,4-oxadiazole;1,3-oxazinan-2-one;1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;piperidin-2-one;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidin-2-one;2H-tetrazole;1,3,4-thiadiazole;1,2,5-thiadiazolidine 1,1-dioxide;bis(thiazinane 1,1-dioxide);1,2-thiazole;1,3-thiazole;1,2-thiazolidine 1,1-dioxide;1H-1,2,4-triazole;2H-triazole (CID 160852332) is benzene;1,3-diazinan-2-one;1H-imidazole;imidazolidin-2-one;1,3,4-oxadiazole;1,3-oxazinan-2-one;1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;piperidin-2-one;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidin-2-one;2H-tetrazole;1,3,4-thiadiazole;1,2,5-thiadiazolidine 1,1-dioxide;bis(thiazinane 1,1-dioxide);1,2-thiazole;1,3-thiazole;1,2-thiazolidine 1,1-dioxide;1H-1,2,4-triazole;2H-triazole.

What is the SMILES notation for benzene;1,3-diazinan-2-one;1H-imidazole;imidazolidin-2-one;1,3,4-oxadiazole;1,3-oxazinan-2-one;1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;piperidin-2-one;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidin-2-one;2H-tetrazole;1,3,4-thiadiazole;1,2,5-thiadiazolidine 1,1-dioxide;bis(thiazinane 1,1-dioxide);1,2-thiazole;1,3-thiazole;1,2-thiazolidine 1,1-dioxide;1H-1,2,4-triazole;2H-triazole?

The canonical SMILES for benzene;1,3-diazinan-2-one;1H-imidazole;imidazolidin-2-one;1,3,4-oxadiazole;1,3-oxazinan-2-one;1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;piperidin-2-one;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidin-2-one;2H-tetrazole;1,3,4-thiadiazole;1,2,5-thiadiazolidine 1,1-dioxide;bis(thiazinane 1,1-dioxide);1,2-thiazole;1,3-thiazole;1,2-thiazolidine 1,1-dioxide;1H-1,2,4-triazole;2H-triazole is O=C1CCCCN1.O=C1CCCN1.O=C1NCCCN1.O=C1NCCCO1.O=C1NCCN1.O=C1NCCO1.O=S1(=O)CCCCN1.O=S1(=O)CCCCN1.O=S1(=O)CCCN1.O=S1(=O)NCCN1.c1c[nH]cn1.c1cc[nH]c1.c1ccccc1.c1ccncc1.c1ccnnc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1nn[nH]n1.c1nnco1.c1nncs1.

What is the InChIKey of benzene;1,3-diazinan-2-one;1H-imidazole;imidazolidin-2-one;1,3,4-oxadiazole;1,3-oxazinan-2-one;1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;piperidin-2-one;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidin-2-one;2H-tetrazole;1,3,4-thiadiazole;1,2,5-thiadiazolidine 1,1-dioxide;bis(thiazinane 1,1-dioxide);1,2-thiazole;1,3-thiazole;1,2-thiazolidine 1,1-dioxide;1H-1,2,4-triazole;2H-triazole?

The InChIKey is SJKNSZWVZDAATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H9NO.C5H5N.C4H8N2O.3C4H4N2.2C4H9NO2S.C4H7NO2.C4H7NO.C4H5N.C3H6N2O.2C3H4N2.C3H7NO2S.C3H5NO2.2C3H3NO.2C3H3NS.2C2H3N3.C2H6N2O2S.C2H2N2O.C2H2N2S.CH2N4/c1-2-4-6-5-3-1;7-5-3-1-2-4-6-5;1-2-4-6-5-3-1;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;2*6-8(7)4-2-1-3-5-8;6-4-5-2-1-3-7-4;6-4-2-1-3-5-4;1-2-4-5-3-1;6-3-4-1-2-5-3;1-2-5-3-4-1;1-2-4-5-3-1;5-7(6)3-1-2-4-7;5-3-4-1-2-6-3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1;5-7(6)3-1-2-4-7;2*1-3-4-2-5-1;1-2-4-5-3-1/h1-6H;1-4H2,(H,6,7);1-5H;1-3H2,(H2,5,6,7);3*1-4H;2*5H,1-4H2;1-3H2,(H,5,6);1-3H2,(H,5,6);1-5H;1-2H2,(H2,4,5,6);2*1-3H,(H,4,5);4H,1-3H2;1-2H2,(H,4,5);4*1-3H;2*1-2H,(H,3,4,5);3-4H,1-2H2;2*1-2H;1H,(H,2,3,4,5).

What are the key properties of benzene;1,3-diazinan-2-one;1H-imidazole;imidazolidin-2-one;1,3,4-oxadiazole;1,3-oxazinan-2-one;1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;piperidin-2-one;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidin-2-one;2H-tetrazole;1,3,4-thiadiazole;1,2,5-thiadiazolidine 1,1-dioxide;bis(thiazinane 1,1-dioxide);1,2-thiazole;1,3-thiazole;1,2-thiazolidine 1,1-dioxide;1H-1,2,4-triazole;2H-triazole?

benzene;1,3-diazinan-2-one;1H-imidazole;imidazolidin-2-one;1,3,4-oxadiazole;1,3-oxazinan-2-one;1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;piperidin-2-one;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidin-2-one;2H-tetrazole;1,3,4-thiadiazole;1,2,5-thiadiazolidine 1,1-dioxide;bis(thiazinane 1,1-dioxide);1,2-thiazole;1,3-thiazole;1,2-thiazolidine 1,1-dioxide;1H-1,2,4-triazole;2H-triazole has a molecular weight of 2345.80 g/mol, XLogP of 5.23, 0 rotatable bonds, 19 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;1,3-diazinan-2-one;1H-imidazole;imidazolidin-2-one;1,3,4-oxadiazole;1,3-oxazinan-2-one;1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;piperidin-2-one;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidin-2-one;2H-tetrazole;1,3,4-thiadiazole;1,2,5-thiadiazolidine 1,1-dioxide;bis(thiazinane 1,1-dioxide);1,2-thiazole;1,3-thiazole;1,2-thiazolidine 1,1-dioxide;1H-1,2,4-triazole;2H-triazole is sourced from PubChem (CID 160852332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).