furan;1H-imidazole;4H-imidazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;thiophene;bis(2H-triazole)

C59H66N24O4S2 — CID 158704713

About furan;1H-imidazole;4H-imidazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;thiophene;bis(2H-triazole)

furan;1H-imidazole;4H-imidazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;thiophene;bis(2H-triazole) (PubChem CID 158704713) has the molecular formula C59H66N24O4S2 and a molecular weight of 1239.48 g/mol. Its IUPAC name is furan;1H-imidazole;4H-imidazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;thiophene;bis(2H-triazole).

Molecular Properties

• Compound Name: furan;1H-imidazole;4H-imidazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;thiophene;bis(2H-triazole)
• PubChem CID: 158704713
• Molecular Formula: C59H66N24O4S2
• Molecular Weight: 1239.48 g/mol
• Exact Mass: 1238.51
• IUPAC Name: furan;1H-imidazole;4H-imidazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;thiophene;bis(2H-triazole)
• SMILES: C1=CN=CC1.C1=NC=NC1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cn[nH]n1.c1cnccn1.c1cocn1.c1cocn1.c1nncs1
• InChI: InChI=1S/2C5H5N.2C4H4N2.2C4H5N.2C4H4O.C4H4S.3C3H4N2.2C3H3NO.2C2H3N3.C2H2N2S/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-4-6-5-3-1;5*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;2*1-2-4-5-3-1;1-3-4-2-5-1/h2*1-5H;2*1-4H;1,3-4H,2H2;1-5H;3*1-4H;1,3H,2H2;2*1-3H,(H,4,5);2*1-3H;2*1-2H,(H,3,4,5);1-2H
• InChIKey: IHYYXTCXUDDASF-UHFFFAOYSA-N
• XLogP: 11.83
• TPSA: 374.83 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1239.48
LogP ≤ 5	11.83
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of furan;1H-imidazole;4H-imidazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;thiophene;bis(2H-triazole)?

The IUPAC name of furan;1H-imidazole;4H-imidazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;thiophene;bis(2H-triazole) (CID 158704713) is furan;1H-imidazole;4H-imidazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;thiophene;bis(2H-triazole).

What is the SMILES notation for furan;1H-imidazole;4H-imidazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;thiophene;bis(2H-triazole)?

The canonical SMILES for furan;1H-imidazole;4H-imidazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;thiophene;bis(2H-triazole) is C1=CN=CC1.C1=NC=NC1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cn[nH]n1.c1cnccn1.c1cocn1.c1cocn1.c1nncs1.

What is the InChIKey of furan;1H-imidazole;4H-imidazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;thiophene;bis(2H-triazole)?

The InChIKey is IHYYXTCXUDDASF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5N.2C4H4N2.2C4H5N.2C4H4O.C4H4S.3C3H4N2.2C3H3NO.2C2H3N3.C2H2N2S/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-4-6-5-3-1;5*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;2*1-2-4-5-3-1;1-3-4-2-5-1/h2*1-5H;2*1-4H;1,3-4H,2H2;1-5H;3*1-4H;1,3H,2H2;2*1-3H,(H,4,5);2*1-3H;2*1-2H,(H,3,4,5);1-2H.

What are the key properties of furan;1H-imidazole;4H-imidazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;thiophene;bis(2H-triazole)?

furan;1H-imidazole;4H-imidazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;thiophene;bis(2H-triazole) has a molecular weight of 1239.48 g/mol, XLogP of 11.83, 0 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for furan;1H-imidazole;4H-imidazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;thiophene;bis(2H-triazole) is sourced from PubChem (CID 158704713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).