1H-imidazole;1,3-oxazole;pyrazine;bis(1H-pyrazole);pyridine;pyrimidine;1,3-thiazole;bis(1H-1,2,4-triazole)

C32H37N19OS — CID 157434477

About 1H-imidazole;1,3-oxazole;pyrazine;bis(1H-pyrazole);pyridine;pyrimidine;1,3-thiazole;bis(1H-1,2,4-triazole)

1H-imidazole;1,3-oxazole;pyrazine;bis(1H-pyrazole);pyridine;pyrimidine;1,3-thiazole;bis(1H-1,2,4-triazole) (PubChem CID 157434477) has the molecular formula C32H37N19OS and a molecular weight of 735.85 g/mol. Its IUPAC name is 1H-imidazole;1,3-oxazole;pyrazine;bis(1H-pyrazole);pyridine;pyrimidine;1,3-thiazole;bis(1H-1,2,4-triazole).

Molecular Properties

• Compound Name: 1H-imidazole;1,3-oxazole;pyrazine;bis(1H-pyrazole);pyridine;pyrimidine;1,3-thiazole;bis(1H-1,2,4-triazole)
• PubChem CID: 157434477
• Molecular Formula: C32H37N19OS
• Molecular Weight: 735.85 g/mol
• Exact Mass: 735.31
• IUPAC Name: 1H-imidazole;1,3-oxazole;pyrazine;bis(1H-pyrazole);pyridine;pyrimidine;1,3-thiazole;bis(1H-1,2,4-triazole)
• SMILES: c1c[nH]cn1.c1ccncc1.c1cn[nH]c1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1nc[nH]n1
• InChI: InChI=1S/C5H5N.2C4H4N2.3C3H4N2.C3H3NO.C3H3NS.2C2H3N3/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1;2*1-2-5-3-4-1;2*1-3-2-5-4-1/h1-5H;2*1-4H;3*1-3H,(H,4,5);2*1-3H;2*1-2H,(H,3,4,5)
• InChIKey: BQXWYILZJDUWCD-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 272.55 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	735.85
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1,3-oxazole;pyrazine;bis(1H-pyrazole);pyridine;pyrimidine;1,3-thiazole;bis(1H-1,2,4-triazole)?

The IUPAC name of 1H-imidazole;1,3-oxazole;pyrazine;bis(1H-pyrazole);pyridine;pyrimidine;1,3-thiazole;bis(1H-1,2,4-triazole) (CID 157434477) is 1H-imidazole;1,3-oxazole;pyrazine;bis(1H-pyrazole);pyridine;pyrimidine;1,3-thiazole;bis(1H-1,2,4-triazole).

What is the SMILES notation for 1H-imidazole;1,3-oxazole;pyrazine;bis(1H-pyrazole);pyridine;pyrimidine;1,3-thiazole;bis(1H-1,2,4-triazole)?

The canonical SMILES for 1H-imidazole;1,3-oxazole;pyrazine;bis(1H-pyrazole);pyridine;pyrimidine;1,3-thiazole;bis(1H-1,2,4-triazole) is c1c[nH]cn1.c1ccncc1.c1cn[nH]c1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1nc[nH]n1.

What is the InChIKey of 1H-imidazole;1,3-oxazole;pyrazine;bis(1H-pyrazole);pyridine;pyrimidine;1,3-thiazole;bis(1H-1,2,4-triazole)?

The InChIKey is BQXWYILZJDUWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.2C4H4N2.3C3H4N2.C3H3NO.C3H3NS.2C2H3N3/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1;2*1-2-5-3-4-1;2*1-3-2-5-4-1/h1-5H;2*1-4H;3*1-3H,(H,4,5);2*1-3H;2*1-2H,(H,3,4,5).

What are the key properties of 1H-imidazole;1,3-oxazole;pyrazine;bis(1H-pyrazole);pyridine;pyrimidine;1,3-thiazole;bis(1H-1,2,4-triazole)?

1H-imidazole;1,3-oxazole;pyrazine;bis(1H-pyrazole);pyridine;pyrimidine;1,3-thiazole;bis(1H-1,2,4-triazole) has a molecular weight of 735.85 g/mol, XLogP of 4.69, 0 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-imidazole;1,3-oxazole;pyrazine;bis(1H-pyrazole);pyridine;pyrimidine;1,3-thiazole;bis(1H-1,2,4-triazole) is sourced from PubChem (CID 157434477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).