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

C61H127N27 — CID 158451993

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

ethane;1-methylimidazole;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole (PubChem CID 158451993) has the molecular formula C61H127N27 and a molecular weight of 1238.88 g/mol. Its IUPAC name is ethane;1-methylimidazole;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: ethane;1-methylimidazole;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
• PubChem CID: 158451993
• Molecular Formula: C61H127N27
• Molecular Weight: 1238.88 g/mol
• Exact Mass: 1238.08
• IUPAC Name: ethane;1-methylimidazole;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccn[nH]1.Cc1cn[nH]c1.Cc1cn[nH]n1.Cc1ncn[nH]1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnc1.Cn1nccn1
• InChI: InChI=1S/C5H7N.4C4H6N2.6C3H5N3.11C2H6/c1-6-4-2-3-5-6;1-4-2-5-6-3-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-3-5-6-4;1-6-2-4-5-3-6;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-4-2-3-5-6;1-3-4-2-5-6-3;1-3-2-4-6-5-3;11*1-2/h2-5H,1H3;2-3H,1H3,(H,5,6);2*2-4H,1H3;2-3H,1H3,(H,5,6);4*2-3H,1H3;2*2H,1H3,(H,4,5,6);11*1-2H3
• InChIKey: HECMZMZJDUSQLZ-UHFFFAOYSA-N
• XLogP: 14.08
• TPSA: 303.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1238.88
LogP ≤ 5	14.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

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

The IUPAC name of ethane;1-methylimidazole;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole (CID 158451993) is ethane;1-methylimidazole;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole.

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

The canonical SMILES for ethane;1-methylimidazole;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccn[nH]1.Cc1cn[nH]c1.Cc1cn[nH]n1.Cc1ncn[nH]1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnc1.Cn1nccn1.

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

The InChIKey is HECMZMZJDUSQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.4C4H6N2.6C3H5N3.11C2H6/c1-6-4-2-3-5-6;1-4-2-5-6-3-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-3-5-6-4;1-6-2-4-5-3-6;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-4-2-3-5-6;1-3-4-2-5-6-3;1-3-2-4-6-5-3;11*1-2/h2-5H,1H3;2-3H,1H3,(H,5,6);2*2-4H,1H3;2-3H,1H3,(H,5,6);4*2-3H,1H3;2*2H,1H3,(H,4,5,6);11*1-2H3.

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

ethane;1-methylimidazole;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole has a molecular weight of 1238.88 g/mol, XLogP of 14.08, 0 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-methylimidazole;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 158451993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).