benzene;2,3-dihydro-1H-pyrrole;2,3-dihydro-1,3-thiazole;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;thiophene;2H-triazole

C61H83N21O2S2 — CID 159907686

About benzene;2,3-dihydro-1H-pyrrole;2,3-dihydro-1,3-thiazole;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;thiophene;2H-triazole

benzene;2,3-dihydro-1H-pyrrole;2,3-dihydro-1,3-thiazole;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;thiophene;2H-triazole (PubChem CID 159907686) has the molecular formula C61H83N21O2S2 and a molecular weight of 1206.61 g/mol. Its IUPAC name is benzene;2,3-dihydro-1H-pyrrole;2,3-dihydro-1,3-thiazole;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;thiophene;2H-triazole.

Molecular Properties

• Compound Name: benzene;2,3-dihydro-1H-pyrrole;2,3-dihydro-1,3-thiazole;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;thiophene;2H-triazole
• PubChem CID: 159907686
• Molecular Formula: C61H83N21O2S2
• Molecular Weight: 1206.61 g/mol
• Exact Mass: 1205.65
• IUPAC Name: benzene;2,3-dihydro-1H-pyrrole;2,3-dihydro-1,3-thiazole;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;thiophene;2H-triazole
• SMILES: C1=CCNCC1.C1=CNCC1.C1=CNCCC1.C1=CSCN1.C1CCNC1.c1c[nH]cn1.c1cc[nH]c1.c1ccccc1.c1ccncc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnoc1.c1nnco1
• InChI: InChI=1S/C6H6.2C5H9N.C5H5N.2C4H4N2.C4H9N.C4H7N.C4H5N.C4H4S.2C3H4N2.C3H3NO.C3H5NS.C2H3N3.C2H2N2O/c4*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;4*1-2-4-5-3-1;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;1-3-4-2-5-1/h1-6H;2,4,6H,1,3,5H2;1-2,6H,3-5H2;1-5H;2*1-4H;5H,1-4H2;1,3,5H,2,4H2;1-5H;1-4H;2*1-3H,(H,4,5);1-3H;1-2,4H,3H2;1-2H,(H,3,4,5);1-2H
• InChIKey: NWTZWGDGOBHYHD-UHFFFAOYSA-N
• XLogP: 10.89
• TPSA: 304.27 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1206.61
LogP ≤ 5	10.89
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzene;2,3-dihydro-1H-pyrrole;2,3-dihydro-1,3-thiazole;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;thiophene;2H-triazole?

The IUPAC name of benzene;2,3-dihydro-1H-pyrrole;2,3-dihydro-1,3-thiazole;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;thiophene;2H-triazole (CID 159907686) is benzene;2,3-dihydro-1H-pyrrole;2,3-dihydro-1,3-thiazole;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;thiophene;2H-triazole.

What is the SMILES notation for benzene;2,3-dihydro-1H-pyrrole;2,3-dihydro-1,3-thiazole;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;thiophene;2H-triazole?

The canonical SMILES for benzene;2,3-dihydro-1H-pyrrole;2,3-dihydro-1,3-thiazole;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;thiophene;2H-triazole is C1=CCNCC1.C1=CNCC1.C1=CNCCC1.C1=CSCN1.C1CCNC1.c1c[nH]cn1.c1cc[nH]c1.c1ccccc1.c1ccncc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnoc1.c1nnco1.

What is the InChIKey of benzene;2,3-dihydro-1H-pyrrole;2,3-dihydro-1,3-thiazole;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;thiophene;2H-triazole?

The InChIKey is NWTZWGDGOBHYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.2C5H9N.C5H5N.2C4H4N2.C4H9N.C4H7N.C4H5N.C4H4S.2C3H4N2.C3H3NO.C3H5NS.C2H3N3.C2H2N2O/c4*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;4*1-2-4-5-3-1;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;1-3-4-2-5-1/h1-6H;2,4,6H,1,3,5H2;1-2,6H,3-5H2;1-5H;2*1-4H;5H,1-4H2;1,3,5H,2,4H2;1-5H;1-4H;2*1-3H,(H,4,5);1-3H;1-2,4H,3H2;1-2H,(H,3,4,5);1-2H.

What are the key properties of benzene;2,3-dihydro-1H-pyrrole;2,3-dihydro-1,3-thiazole;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;thiophene;2H-triazole?

benzene;2,3-dihydro-1H-pyrrole;2,3-dihydro-1,3-thiazole;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;thiophene;2H-triazole has a molecular weight of 1206.61 g/mol, XLogP of 10.89, 0 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;2,3-dihydro-1H-pyrrole;2,3-dihydro-1,3-thiazole;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;thiophene;2H-triazole is sourced from PubChem (CID 159907686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).