1-methylimidazole;1-methylpyrazole;1-methylpyrrole;5-methyl-2H-tetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-4H-triazole

C27H43N21 — CID 159714657

About 1-methylimidazole;1-methylpyrazole;1-methylpyrrole;5-methyl-2H-tetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-4H-triazole

1-methylimidazole;1-methylpyrazole;1-methylpyrrole;5-methyl-2H-tetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-4H-triazole (PubChem CID 159714657) has the molecular formula C27H43N21 and a molecular weight of 661.79 g/mol. Its IUPAC name is 1-methylimidazole;1-methylpyrazole;1-methylpyrrole;5-methyl-2H-tetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-4H-triazole.

Molecular Properties

• Compound Name: 1-methylimidazole;1-methylpyrazole;1-methylpyrrole;5-methyl-2H-tetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-4H-triazole
• PubChem CID: 159714657
• Molecular Formula: C27H43N21
• Molecular Weight: 661.79 g/mol
• Exact Mass: 661.40
• IUPAC Name: 1-methylimidazole;1-methylpyrazole;1-methylpyrrole;5-methyl-2H-tetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-4H-triazole
• SMILES: CC1C=NN=N1.Cc1nn[nH]n1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnc1
• InChI: InChI=1S/C5H7N.2C4H6N2.4C3H5N3.C2H4N4/c1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-6-2-4-5-3-6;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-3-2-4-6-5-3;1-2-3-5-6-4-2/h2-5H,1H3;2*2-4H,1H3;4*2-3H,1H3;1H3,(H,3,4,5,6)
• InChIKey: MZGWAVDPVJRNEZ-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 224.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.79
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;1-methylpyrazole;1-methylpyrrole;5-methyl-2H-tetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-4H-triazole?

The IUPAC name of 1-methylimidazole;1-methylpyrazole;1-methylpyrrole;5-methyl-2H-tetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-4H-triazole (CID 159714657) is 1-methylimidazole;1-methylpyrazole;1-methylpyrrole;5-methyl-2H-tetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-4H-triazole.

What is the SMILES notation for 1-methylimidazole;1-methylpyrazole;1-methylpyrrole;5-methyl-2H-tetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-4H-triazole?

The canonical SMILES for 1-methylimidazole;1-methylpyrazole;1-methylpyrrole;5-methyl-2H-tetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-4H-triazole is CC1C=NN=N1.Cc1nn[nH]n1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnc1.

What is the InChIKey of 1-methylimidazole;1-methylpyrazole;1-methylpyrrole;5-methyl-2H-tetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-4H-triazole?

The InChIKey is MZGWAVDPVJRNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.2C4H6N2.4C3H5N3.C2H4N4/c1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-6-2-4-5-3-6;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-3-2-4-6-5-3;1-2-3-5-6-4-2/h2-5H,1H3;2*2-4H,1H3;4*2-3H,1H3;1H3,(H,3,4,5,6).

What are the key properties of 1-methylimidazole;1-methylpyrazole;1-methylpyrrole;5-methyl-2H-tetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-4H-triazole?

1-methylimidazole;1-methylpyrazole;1-methylpyrrole;5-methyl-2H-tetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-4H-triazole has a molecular weight of 661.79 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methylimidazole;1-methylpyrazole;1-methylpyrrole;5-methyl-2H-tetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-4H-triazole is sourced from PubChem (CID 159714657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).