1-methylimidazole;2-methyl-1,3-oxazole;1-methylpentazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole

C45H64N26OS6 — CID 162117707

About 1-methylimidazole;2-methyl-1,3-oxazole;1-methylpentazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole

1-methylimidazole;2-methyl-1,3-oxazole;1-methylpentazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole (PubChem CID 162117707) has the molecular formula C45H64N26OS6 and a molecular weight of 1177.59 g/mol. Its IUPAC name is 1-methylimidazole;2-methyl-1,3-oxazole;1-methylpentazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole.

Molecular Properties

• Compound Name: 1-methylimidazole;2-methyl-1,3-oxazole;1-methylpentazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
• PubChem CID: 162117707
• Molecular Formula: C45H64N26OS6
• Molecular Weight: 1177.59 g/mol
• Exact Mass: 1176.41
• IUPAC Name: 1-methylimidazole;2-methyl-1,3-oxazole;1-methylpentazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
• SMILES: Cc1ccns1.Cc1ccsn1.Cc1cncs1.Cc1cnsc1.Cc1cscn1.Cc1ncco1.Cc1nccs1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnn1.Cn1nnnn1
• InChI: InChI=1S/2C4H6N2.C4H5NO.6C4H5NS.2C3H5N3.C2H4N4.CH3N5/c1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-2-3-4-5-6;1-6-4-2-3-5-6/h2*2-4H,1H3;9*2-3H,1H3;2H,1H3;1H3
• InChIKey: ZGZKLLRMTBPMAZ-UHFFFAOYSA-N
• XLogP: 7.98
• TPSA: 300.52 Ų
• H-Bond Acceptors: 33
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1177.59
LogP ≤ 5	7.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;2-methyl-1,3-oxazole;1-methylpentazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?

The IUPAC name of 1-methylimidazole;2-methyl-1,3-oxazole;1-methylpentazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole (CID 162117707) is 1-methylimidazole;2-methyl-1,3-oxazole;1-methylpentazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole.

What is the SMILES notation for 1-methylimidazole;2-methyl-1,3-oxazole;1-methylpentazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?

The canonical SMILES for 1-methylimidazole;2-methyl-1,3-oxazole;1-methylpentazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole is Cc1ccns1.Cc1ccsn1.Cc1cncs1.Cc1cnsc1.Cc1cscn1.Cc1ncco1.Cc1nccs1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnn1.Cn1nnnn1.

What is the InChIKey of 1-methylimidazole;2-methyl-1,3-oxazole;1-methylpentazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?

The InChIKey is ZGZKLLRMTBPMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6N2.C4H5NO.6C4H5NS.2C3H5N3.C2H4N4.CH3N5/c1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-2-3-4-5-6;1-6-4-2-3-5-6/h2*2-4H,1H3;9*2-3H,1H3;2H,1H3;1H3.

What are the key properties of 1-methylimidazole;2-methyl-1,3-oxazole;1-methylpentazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?

1-methylimidazole;2-methyl-1,3-oxazole;1-methylpentazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole has a molecular weight of 1177.59 g/mol, XLogP of 7.98, 0 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methylimidazole;2-methyl-1,3-oxazole;1-methylpentazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole is sourced from PubChem (CID 162117707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).