benzene;furan;1H-imidazole;1-methylpyrrole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole

C63H69N27O5S5 — CID 158407514

About benzene;furan;1H-imidazole;1-methylpyrrole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole

benzene;furan;1H-imidazole;1-methylpyrrole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole (PubChem CID 158407514) has the molecular formula C63H69N27O5S5 and a molecular weight of 1444.76 g/mol. Its IUPAC name is benzene;furan;1H-imidazole;1-methylpyrrole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole.

Molecular Properties

• Compound Name: benzene;furan;1H-imidazole;1-methylpyrrole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
• PubChem CID: 158407514
• Molecular Formula: C63H69N27O5S5
• Molecular Weight: 1444.76 g/mol
• Exact Mass: 1443.46
• IUPAC Name: benzene;furan;1H-imidazole;1-methylpyrrole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
• SMILES: Cn1cccc1.c1c[nH]cn1.c1cc[nH]c1.c1ccccc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1cscn1.c1nc[nH]n1.c1nnco1.c1nncs1
• InChI: InChI=1S/C6H6.C5H7N.3C4H4N2.C4H5N.C4H4O.C4H4S.2C3H4N2.2C3H3NO.2C3H3NS.C2H3N3.2C2H2N2O.2C2H2N2S/c1-2-4-6-5-3-1;1-6-4-2-3-5-6;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-3-4-2-5-1;1-2-4-5-3-1;1-3-4-2-5-1;1-2-4-5-3-1/h1-6H;2-5H,1H3;3*1-4H;1-5H;2*1-4H;2*1-3H,(H,4,5);4*1-3H;1-2H,(H,3,4,5);4*1-2H
• InChIKey: GYWRALQCPBGYFF-UHFFFAOYSA-N
• XLogP: 13.66
• TPSA: 417.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1444.76
LogP ≤ 5	13.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of benzene;furan;1H-imidazole;1-methylpyrrole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole?

The IUPAC name of benzene;furan;1H-imidazole;1-methylpyrrole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole (CID 158407514) is benzene;furan;1H-imidazole;1-methylpyrrole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole.

What is the SMILES notation for benzene;furan;1H-imidazole;1-methylpyrrole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole?

The canonical SMILES for benzene;furan;1H-imidazole;1-methylpyrrole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole is Cn1cccc1.c1c[nH]cn1.c1cc[nH]c1.c1ccccc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1cscn1.c1nc[nH]n1.c1nnco1.c1nncs1.

What is the InChIKey of benzene;furan;1H-imidazole;1-methylpyrrole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole?

The InChIKey is GYWRALQCPBGYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H7N.3C4H4N2.C4H5N.C4H4O.C4H4S.2C3H4N2.2C3H3NO.2C3H3NS.C2H3N3.2C2H2N2O.2C2H2N2S/c1-2-4-6-5-3-1;1-6-4-2-3-5-6;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-3-4-2-5-1;1-2-4-5-3-1;1-3-4-2-5-1;1-2-4-5-3-1/h1-6H;2-5H,1H3;3*1-4H;1-5H;2*1-4H;2*1-3H,(H,4,5);4*1-3H;1-2H,(H,3,4,5);4*1-2H.

What are the key properties of benzene;furan;1H-imidazole;1-methylpyrrole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole?

benzene;furan;1H-imidazole;1-methylpyrrole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole has a molecular weight of 1444.76 g/mol, XLogP of 13.66, 0 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;furan;1H-imidazole;1-methylpyrrole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole is sourced from PubChem (CID 158407514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).