ethane;methane;2-methylfuran;3-methylfuran;1-methylimidazole;2-methyl-1H-imidazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole

C82H150N14O2S2 — CID 159741028

About ethane;methane;2-methylfuran;3-methylfuran;1-methylimidazole;2-methyl-1H-imidazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole

ethane;methane;2-methylfuran;3-methylfuran;1-methylimidazole;2-methyl-1H-imidazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole (PubChem CID 159741028) has the molecular formula C82H150N14O2S2 and a molecular weight of 1428.33 g/mol. Its IUPAC name is ethane;methane;2-methylfuran;3-methylfuran;1-methylimidazole;2-methyl-1H-imidazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole.

Molecular Properties

• Compound Name: ethane;methane;2-methylfuran;3-methylfuran;1-methylimidazole;2-methyl-1H-imidazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole
• PubChem CID: 159741028
• Molecular Formula: C82H150N14O2S2
• Molecular Weight: 1428.33 g/mol
• Exact Mass: 1427.15
• IUPAC Name: ethane;methane;2-methylfuran;3-methylfuran;1-methylimidazole;2-methyl-1H-imidazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole
• SMILES: C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1ccn[nH]1.Cc1ccncc1.Cc1ccoc1.Cc1ccsc1.Cc1ncc[nH]1.Cn1cccn1.Cn1ccnc1.Cn1cncn1
• InChI: InChI=1S/3C6H7N.2C5H6O.2C5H6S.4C4H6N2.C3H5N3.12C2H6.CH4/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-6-3-4-2-5-6;12*1-2;/h3*2-5H,1H3;6*2-4H,1H3;2*2-3H,1H3,(H,5,6);2-3H,1H3;12*1-2H3;1H4
• InChIKey: NCLMWYSEPDWJEC-UHFFFAOYSA-N
• XLogP: 26.50
• TPSA: 188.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1428.33
LogP ≤ 5	26.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-methylfuran;3-methylfuran;1-methylimidazole;2-methyl-1H-imidazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole?

The IUPAC name of ethane;methane;2-methylfuran;3-methylfuran;1-methylimidazole;2-methyl-1H-imidazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole (CID 159741028) is ethane;methane;2-methylfuran;3-methylfuran;1-methylimidazole;2-methyl-1H-imidazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole.

What is the SMILES notation for ethane;methane;2-methylfuran;3-methylfuran;1-methylimidazole;2-methyl-1H-imidazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole?

The canonical SMILES for ethane;methane;2-methylfuran;3-methylfuran;1-methylimidazole;2-methyl-1H-imidazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1ccn[nH]1.Cc1ccncc1.Cc1ccoc1.Cc1ccsc1.Cc1ncc[nH]1.Cn1cccn1.Cn1ccnc1.Cn1cncn1.

What is the InChIKey of ethane;methane;2-methylfuran;3-methylfuran;1-methylimidazole;2-methyl-1H-imidazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole?

The InChIKey is NCLMWYSEPDWJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H7N.2C5H6O.2C5H6S.4C4H6N2.C3H5N3.12C2H6.CH4/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-6-3-4-2-5-6;12*1-2;/h3*2-5H,1H3;6*2-4H,1H3;2*2-3H,1H3,(H,5,6);2-3H,1H3;12*1-2H3;1H4.

What are the key properties of ethane;methane;2-methylfuran;3-methylfuran;1-methylimidazole;2-methyl-1H-imidazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole?

ethane;methane;2-methylfuran;3-methylfuran;1-methylimidazole;2-methyl-1H-imidazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole has a molecular weight of 1428.33 g/mol, XLogP of 26.50, 0 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;methane;2-methylfuran;3-methylfuran;1-methylimidazole;2-methyl-1H-imidazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole is sourced from PubChem (CID 159741028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).