5-methyl-1H-imidazole;5-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1H-pyrazole;5-methylpyrimidine;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;bis(5-methyl-1H-1,2,4-triazole)

C38H52N18O3S2 — CID 159961479

About 5-methyl-1H-imidazole;5-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1H-pyrazole;5-methylpyrimidine;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;bis(5-methyl-1H-1,2,4-triazole)

5-methyl-1H-imidazole;5-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1H-pyrazole;5-methylpyrimidine;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;bis(5-methyl-1H-1,2,4-triazole) (PubChem CID 159961479) has the molecular formula C38H52N18O3S2 and a molecular weight of 873.09 g/mol. Its IUPAC name is 5-methyl-1H-imidazole;5-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1H-pyrazole;5-methylpyrimidine;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;bis(5-methyl-1H-1,2,4-triazole).

Molecular Properties

• Compound Name: 5-methyl-1H-imidazole;5-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1H-pyrazole;5-methylpyrimidine;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;bis(5-methyl-1H-1,2,4-triazole)
• PubChem CID: 159961479
• Molecular Formula: C38H52N18O3S2
• Molecular Weight: 873.09 g/mol
• Exact Mass: 872.39
• IUPAC Name: 5-methyl-1H-imidazole;5-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1H-pyrazole;5-methylpyrimidine;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;bis(5-methyl-1H-1,2,4-triazole)
• SMILES: Cc1ccn[nH]1.Cc1ccns1.Cc1ccon1.Cc1cnc[nH]1.Cc1cncnc1.Cc1cnoc1.Cc1cnsc1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1ncno1
• InChI: InChI=1S/C5H6N2.2C4H6N2.2C4H5NO.2C4H5NS.2C3H5N3.C3H4N2O/c1-5-2-6-4-7-3-5;1-4-2-5-3-6-4;1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-5-6-3-4;1-4-2-3-5-6-4;3*1-3-4-2-5-6-3/h2-4H,1H3;2*2-3H,1H3,(H,5,6);4*2-3H,1H3;2*2H,1H3,(H,4,5,6);2H,1H3
• InChIKey: ODJUGLTXEVBHLR-UHFFFAOYSA-N
• XLogP: 7.69
• TPSA: 283.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	873.09
LogP ≤ 5	7.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-imidazole;5-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1H-pyrazole;5-methylpyrimidine;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;bis(5-methyl-1H-1,2,4-triazole)?

The IUPAC name of 5-methyl-1H-imidazole;5-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1H-pyrazole;5-methylpyrimidine;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;bis(5-methyl-1H-1,2,4-triazole) (CID 159961479) is 5-methyl-1H-imidazole;5-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1H-pyrazole;5-methylpyrimidine;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;bis(5-methyl-1H-1,2,4-triazole).

What is the SMILES notation for 5-methyl-1H-imidazole;5-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1H-pyrazole;5-methylpyrimidine;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;bis(5-methyl-1H-1,2,4-triazole)?

The canonical SMILES for 5-methyl-1H-imidazole;5-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1H-pyrazole;5-methylpyrimidine;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;bis(5-methyl-1H-1,2,4-triazole) is Cc1ccn[nH]1.Cc1ccns1.Cc1ccon1.Cc1cnc[nH]1.Cc1cncnc1.Cc1cnoc1.Cc1cnsc1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1ncno1.

What is the InChIKey of 5-methyl-1H-imidazole;5-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1H-pyrazole;5-methylpyrimidine;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;bis(5-methyl-1H-1,2,4-triazole)?

The InChIKey is ODJUGLTXEVBHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.2C4H6N2.2C4H5NO.2C4H5NS.2C3H5N3.C3H4N2O/c1-5-2-6-4-7-3-5;1-4-2-5-3-6-4;1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-5-6-3-4;1-4-2-3-5-6-4;3*1-3-4-2-5-6-3/h2-4H,1H3;2*2-3H,1H3,(H,5,6);4*2-3H,1H3;2*2H,1H3,(H,4,5,6);2H,1H3.

What are the key properties of 5-methyl-1H-imidazole;5-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1H-pyrazole;5-methylpyrimidine;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;bis(5-methyl-1H-1,2,4-triazole)?

5-methyl-1H-imidazole;5-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1H-pyrazole;5-methylpyrimidine;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;bis(5-methyl-1H-1,2,4-triazole) has a molecular weight of 873.09 g/mol, XLogP of 7.69, 0 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-1H-imidazole;5-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1H-pyrazole;5-methylpyrimidine;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;bis(5-methyl-1H-1,2,4-triazole) is sourced from PubChem (CID 159961479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).