ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylthiophene

C71H134N16OS — CID 159927563

About ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylthiophene

ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylthiophene (PubChem CID 159927563) has the molecular formula C71H134N16OS and a molecular weight of 1260.03 g/mol. Its IUPAC name is ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylthiophene.

Molecular Properties

• Compound Name: ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylthiophene
• PubChem CID: 159927563
• Molecular Formula: C71H134N16OS
• Molecular Weight: 1260.03 g/mol
• Exact Mass: 1259.06
• IUPAC Name: ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylthiophene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC(C)c1cccnn1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.CC(C)n1cccn1.Cc1n[nH]nc1C(C)C.Cc1nc(C(C)C)n[nH]1
• InChI: InChI=1S/C7H10N2.C7H10O.C7H10S.2C6H11N3.4C6H10N2.7C2H6/c1-6(2)7-4-3-5-8-9-7;2*1-6(2)7-4-3-5-8-7;1-4(2)6-7-5(3)8-9-6;1-4(2)6-5(3)7-9-8-6;1-5(2)6-3-7-4-8-6;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;7*1-2/h3-6H,1-2H3;2*3-6H,1-2H3;2*4H,1-3H3,(H,7,8,9);3-5H,1-2H3,(H,7,8);3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8);7*1-2H3
• InChIKey: NZFICUBFABMALH-UHFFFAOYSA-N
• XLogP: 22.59
• TPSA: 225.92 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1260.03
LogP ≤ 5	22.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylthiophene?

The IUPAC name of ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylthiophene (CID 159927563) is ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylthiophene.

What is the SMILES notation for ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylthiophene?

The canonical SMILES for ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylthiophene is CC.CC.CC.CC.CC.CC.CC.CC(C)c1cccnn1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.CC(C)n1cccn1.Cc1n[nH]nc1C(C)C.Cc1nc(C(C)C)n[nH]1.

What is the InChIKey of ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylthiophene?

The InChIKey is NZFICUBFABMALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C7H10O.C7H10S.2C6H11N3.4C6H10N2.7C2H6/c1-6(2)7-4-3-5-8-9-7;2*1-6(2)7-4-3-5-8-7;1-4(2)6-7-5(3)8-9-6;1-4(2)6-5(3)7-9-8-6;1-5(2)6-3-7-4-8-6;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;7*1-2/h3-6H,1-2H3;2*3-6H,1-2H3;2*4H,1-3H3,(H,7,8,9);3-5H,1-2H3,(H,7,8);3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8);7*1-2H3.

What are the key properties of ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylthiophene?

ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylthiophene has a molecular weight of 1260.03 g/mol, XLogP of 22.59, 9 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylthiophene is sourced from PubChem (CID 159927563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).