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

C59H65N21O4S2 — CID 157252556

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

furan;2-methylidene-1H-pyridine;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;bis(pyridine);bis(1H-pyrrole);1,3-thiazole;thiophene;bis(1H-1,2,4-triazole) (PubChem CID 157252556) has the molecular formula C59H65N21O4S2 and a molecular weight of 1196.45 g/mol. Its IUPAC name is furan;2-methylidene-1H-pyridine;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;bis(pyridine);bis(1H-pyrrole);1,3-thiazole;thiophene;bis(1H-1,2,4-triazole).

Molecular Properties

• Compound Name: furan;2-methylidene-1H-pyridine;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;bis(pyridine);bis(1H-pyrrole);1,3-thiazole;thiophene;bis(1H-1,2,4-triazole)
• PubChem CID: 157252556
• Molecular Formula: C59H65N21O4S2
• Molecular Weight: 1196.45 g/mol
• Exact Mass: 1195.50
• IUPAC Name: furan;2-methylidene-1H-pyridine;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;bis(pyridine);bis(1H-pyrrole);1,3-thiazole;thiophene;bis(1H-1,2,4-triazole)
• SMILES: C=C1C=CC=CN1.c1cc[nH]c1.c1cc[nH]c1.c1ccncc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cocn1.c1cscn1.c1nc[nH]n1.c1nc[nH]n1.c1nnco1
• InChI: InChI=1S/C6H7N.2C5H5N.2C4H4N2.2C4H5N.2C4H4O.C4H4S.C3H4N2.C3H3NO.C3H3NS.2C2H3N3.C2H2N2O/c1-6-4-2-3-5-7-6;2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-4-6-5-3-1;6*1-2-4-5-3-1;2*1-2-5-3-4-1;2*1-3-2-5-4-1;1-3-4-2-5-1/h2-5,7H,1H2;2*1-5H;2*1-4H;2*1-5H;3*1-4H;1-3H,(H,4,5);2*1-3H;2*1-2H,(H,3,4,5);1-2H
• InChIKey: AWMUPWMJDFOPNA-UHFFFAOYSA-N
• XLogP: 12.53
• TPSA: 336.89 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1196.45
LogP ≤ 5	12.53
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of furan;2-methylidene-1H-pyridine;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;bis(pyridine);bis(1H-pyrrole);1,3-thiazole;thiophene;bis(1H-1,2,4-triazole) (CID 157252556) is furan;2-methylidene-1H-pyridine;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;bis(pyridine);bis(1H-pyrrole);1,3-thiazole;thiophene;bis(1H-1,2,4-triazole).

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

The canonical SMILES for furan;2-methylidene-1H-pyridine;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;bis(pyridine);bis(1H-pyrrole);1,3-thiazole;thiophene;bis(1H-1,2,4-triazole) is C=C1C=CC=CN1.c1cc[nH]c1.c1cc[nH]c1.c1ccncc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cocn1.c1cscn1.c1nc[nH]n1.c1nc[nH]n1.c1nnco1.

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

The InChIKey is AWMUPWMJDFOPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.2C5H5N.2C4H4N2.2C4H5N.2C4H4O.C4H4S.C3H4N2.C3H3NO.C3H3NS.2C2H3N3.C2H2N2O/c1-6-4-2-3-5-7-6;2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-4-6-5-3-1;6*1-2-4-5-3-1;2*1-2-5-3-4-1;2*1-3-2-5-4-1;1-3-4-2-5-1/h2-5,7H,1H2;2*1-5H;2*1-4H;2*1-5H;3*1-4H;1-3H,(H,4,5);2*1-3H;2*1-2H,(H,3,4,5);1-2H.

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

furan;2-methylidene-1H-pyridine;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;bis(pyridine);bis(1H-pyrrole);1,3-thiazole;thiophene;bis(1H-1,2,4-triazole) has a molecular weight of 1196.45 g/mol, XLogP of 12.53, 0 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for furan;2-methylidene-1H-pyridine;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;bis(pyridine);bis(1H-pyrrole);1,3-thiazole;thiophene;bis(1H-1,2,4-triazole) is sourced from PubChem (CID 157252556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).