ethane;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole

C127H240N38O4S4 — CID 158607584

About ethane;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole

ethane;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole (PubChem CID 158607584) has the molecular formula C127H240N38O4S4 and a molecular weight of 2491.85 g/mol. Its IUPAC name is ethane;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: ethane;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole
• PubChem CID: 158607584
• Molecular Formula: C127H240N38O4S4
• Molecular Weight: 2491.85 g/mol
• Exact Mass: 2489.86
• IUPAC Name: ethane;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1cn[nH]c1.Cc1cnc[nH]1.Cc1cncnc1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1conn1.Cc1cscn1.Cc1csnn1.Cc1ncccn1.Cc1ncn[nH]1.Cc1ncon1.Cc1ncsn1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1cncn1.Cn1cnnc1
• InChI: InChI=1S/2C6H7N.3C5H6N2.C5H7N.4C4H6N2.2C4H5NO.2C4H5NS.3C3H5N3.2C3H4N2O.2C3H4N2S.21C2H6/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-6-4-2-3-5-6;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-6-2-4-5-3-6;1-6-3-4-2-5-6;1-3-4-2-5-6-3;1-3-4-2-6-5-3;1-3-2-6-5-4-3;1-3-4-2-6-5-3;1-3-2-6-5-4-3;21*1-2/h2*2-5H,1H3;3*2-4H,1H3;2-5H,1H3;2*2-3H,1H3,(H,5,6);2*2-4H,1H3;6*2-3H,1H3;2H,1H3,(H,4,5,6);4*2H,1H3;21*1-2H3
• InChIKey: HWKREPJTVJGMDQ-UHFFFAOYSA-N
• XLogP: 37.05
• TPSA: 511.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 43
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2491.85
LogP ≤ 5	37.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole?

The IUPAC name of ethane;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole (CID 158607584) is ethane;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole.

What is the SMILES notation for ethane;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole?

The canonical SMILES for ethane;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1cn[nH]c1.Cc1cnc[nH]1.Cc1cncnc1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1conn1.Cc1cscn1.Cc1csnn1.Cc1ncccn1.Cc1ncn[nH]1.Cc1ncon1.Cc1ncsn1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1cncn1.Cn1cnnc1.

What is the InChIKey of ethane;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole?

The InChIKey is HWKREPJTVJGMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7N.3C5H6N2.C5H7N.4C4H6N2.2C4H5NO.2C4H5NS.3C3H5N3.2C3H4N2O.2C3H4N2S.21C2H6/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-6-4-2-3-5-6;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-6-2-4-5-3-6;1-6-3-4-2-5-6;1-3-4-2-5-6-3;1-3-4-2-6-5-3;1-3-2-6-5-4-3;1-3-4-2-6-5-3;1-3-2-6-5-4-3;21*1-2/h2*2-5H,1H3;3*2-4H,1H3;2-5H,1H3;2*2-3H,1H3,(H,5,6);2*2-4H,1H3;6*2-3H,1H3;2H,1H3,(H,4,5,6);4*2H,1H3;21*1-2H3.

What are the key properties of ethane;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole?

ethane;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole has a molecular weight of 2491.85 g/mol, XLogP of 37.05, 0 rotatable bonds, 3 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 158607584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).