ethane;1H-imidazole;tetradecakis(2-methylbutane);1-methyl-5-(2-methylpropyl)tetrazole;2-methyl-5-(2-methylpropyl)tetrazole;4-(2-methylpropyl)-1,2,3,5-oxatriazole;5-(2-methylpropyl)oxatriazole;4-(2-methylpropyl)-1,2,3,5-thiatriazole;5-(2-methylpropyl)thiatriazole;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole

C164H351N47O7S6 — CID 158686031

About ethane;1H-imidazole;tetradecakis(2-methylbutane);1-methyl-5-(2-methylpropyl)tetrazole;2-methyl-5-(2-methylpropyl)tetrazole;4-(2-methylpropyl)-1,2,3,5-oxatriazole;5-(2-methylpropyl)oxatriazole;4-(2-methylpropyl)-1,2,3,5-thiatriazole;5-(2-methylpropyl)thiatriazole;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole

ethane;1H-imidazole;tetradecakis(2-methylbutane);1-methyl-5-(2-methylpropyl)tetrazole;2-methyl-5-(2-methylpropyl)tetrazole;4-(2-methylpropyl)-1,2,3,5-oxatriazole;5-(2-methylpropyl)oxatriazole;4-(2-methylpropyl)-1,2,3,5-thiatriazole;5-(2-methylpropyl)thiatriazole;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole (PubChem CID 158686031) has the molecular formula C164H351N47O7S6 and a molecular weight of 3286.34 g/mol. Its IUPAC name is ethane;1H-imidazole;tetradecakis(2-methylbutane);1-methyl-5-(2-methylpropyl)tetrazole;2-methyl-5-(2-methylpropyl)tetrazole;4-(2-methylpropyl)-1,2,3,5-oxatriazole;5-(2-methylpropyl)oxatriazole;4-(2-methylpropyl)-1,2,3,5-thiatriazole;5-(2-methylpropyl)thiatriazole;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole.

Molecular Properties

• Compound Name: ethane;1H-imidazole;tetradecakis(2-methylbutane);1-methyl-5-(2-methylpropyl)tetrazole;2-methyl-5-(2-methylpropyl)tetrazole;4-(2-methylpropyl)-1,2,3,5-oxatriazole;5-(2-methylpropyl)oxatriazole;4-(2-methylpropyl)-1,2,3,5-thiatriazole;5-(2-methylpropyl)thiatriazole;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole
• PubChem CID: 158686031
• Molecular Formula: C164H351N47O7S6
• Molecular Weight: 3286.34 g/mol
• Exact Mass: 3283.69
• IUPAC Name: ethane;1H-imidazole;tetradecakis(2-methylbutane);1-methyl-5-(2-methylpropyl)tetrazole;2-methyl-5-(2-methylpropyl)tetrazole;4-(2-methylpropyl)-1,2,3,5-oxatriazole;5-(2-methylpropyl)oxatriazole;4-(2-methylpropyl)-1,2,3,5-thiatriazole;5-(2-methylpropyl)thiatriazole;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)Cc1nnn(C)n1.CC(C)Cc1nnnn1C.CC(C)Cc1nnno1.CC(C)Cc1nnns1.CC(C)Cc1nnon1.CC(C)Cc1nnsn1.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.c1c[nH]cn1.c1cn[nH]c1.c1cn[nH]n1.c1cnoc1.c1cnsc1.c1cocn1.c1conn1.c1cscn1.c1csnn1.c1nc[nH]n1.c1nc[nH]n1.c1ncon1.c1nnco1.c1nncs1
• InChI: InChI=1S/2C6H12N4.2C5H9N3O.2C5H9N3S.14C5H12.2C3H4N2.2C3H3NO.2C3H3NS.3C2H3N3.3C2H2N2O.2C2H2N2S.14C2H6/c1-5(2)4-6-7-8-9-10(6)3;1-5(2)4-6-7-9-10(3)8-6;1-4(2)3-5-6-7-8-9-5;1-4(2)3-5-6-8-9-7-5;1-4(2)3-5-6-7-8-9-5;1-4(2)3-5-6-8-9-7-5;14*1-4-5(2)3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-3-4-2-5-1;1-2-5-4-3-1;14*1-2/h2*5H,4H2,1-3H3;4*4H,3H2,1-2H3;14*5H,4H2,1-3H3;2*1-3H,(H,4,5);4*1-3H;3*1-2H,(H,3,4,5);5*1-2H;14*1-2H3
• InChIKey: IFTBSPHAPYEZND-UHFFFAOYSA-N
• XLogP: 52.66
• TPSA: 696.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 55
• Rotatable Bonds: 26
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3286.34
LogP ≤ 5	52.66
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	55

Frequently Asked Questions

What is the IUPAC name of ethane;1H-imidazole;tetradecakis(2-methylbutane);1-methyl-5-(2-methylpropyl)tetrazole;2-methyl-5-(2-methylpropyl)tetrazole;4-(2-methylpropyl)-1,2,3,5-oxatriazole;5-(2-methylpropyl)oxatriazole;4-(2-methylpropyl)-1,2,3,5-thiatriazole;5-(2-methylpropyl)thiatriazole;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole?

The IUPAC name of ethane;1H-imidazole;tetradecakis(2-methylbutane);1-methyl-5-(2-methylpropyl)tetrazole;2-methyl-5-(2-methylpropyl)tetrazole;4-(2-methylpropyl)-1,2,3,5-oxatriazole;5-(2-methylpropyl)oxatriazole;4-(2-methylpropyl)-1,2,3,5-thiatriazole;5-(2-methylpropyl)thiatriazole;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole (CID 158686031) is ethane;1H-imidazole;tetradecakis(2-methylbutane);1-methyl-5-(2-methylpropyl)tetrazole;2-methyl-5-(2-methylpropyl)tetrazole;4-(2-methylpropyl)-1,2,3,5-oxatriazole;5-(2-methylpropyl)oxatriazole;4-(2-methylpropyl)-1,2,3,5-thiatriazole;5-(2-methylpropyl)thiatriazole;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole.

What is the SMILES notation for ethane;1H-imidazole;tetradecakis(2-methylbutane);1-methyl-5-(2-methylpropyl)tetrazole;2-methyl-5-(2-methylpropyl)tetrazole;4-(2-methylpropyl)-1,2,3,5-oxatriazole;5-(2-methylpropyl)oxatriazole;4-(2-methylpropyl)-1,2,3,5-thiatriazole;5-(2-methylpropyl)thiatriazole;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole?

The canonical SMILES for ethane;1H-imidazole;tetradecakis(2-methylbutane);1-methyl-5-(2-methylpropyl)tetrazole;2-methyl-5-(2-methylpropyl)tetrazole;4-(2-methylpropyl)-1,2,3,5-oxatriazole;5-(2-methylpropyl)oxatriazole;4-(2-methylpropyl)-1,2,3,5-thiatriazole;5-(2-methylpropyl)thiatriazole;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)Cc1nnn(C)n1.CC(C)Cc1nnnn1C.CC(C)Cc1nnno1.CC(C)Cc1nnns1.CC(C)Cc1nnon1.CC(C)Cc1nnsn1.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.c1c[nH]cn1.c1cn[nH]c1.c1cn[nH]n1.c1cnoc1.c1cnsc1.c1cocn1.c1conn1.c1cscn1.c1csnn1.c1nc[nH]n1.c1nc[nH]n1.c1ncon1.c1nnco1.c1nncs1.

What is the InChIKey of ethane;1H-imidazole;tetradecakis(2-methylbutane);1-methyl-5-(2-methylpropyl)tetrazole;2-methyl-5-(2-methylpropyl)tetrazole;4-(2-methylpropyl)-1,2,3,5-oxatriazole;5-(2-methylpropyl)oxatriazole;4-(2-methylpropyl)-1,2,3,5-thiatriazole;5-(2-methylpropyl)thiatriazole;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole?

The InChIKey is IFTBSPHAPYEZND-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12N4.2C5H9N3O.2C5H9N3S.14C5H12.2C3H4N2.2C3H3NO.2C3H3NS.3C2H3N3.3C2H2N2O.2C2H2N2S.14C2H6/c1-5(2)4-6-7-8-9-10(6)3;1-5(2)4-6-7-9-10(3)8-6;1-4(2)3-5-6-7-8-9-5;1-4(2)3-5-6-8-9-7-5;1-4(2)3-5-6-7-8-9-5;1-4(2)3-5-6-8-9-7-5;14*1-4-5(2)3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-3-4-2-5-1;1-2-5-4-3-1;14*1-2/h2*5H,4H2,1-3H3;4*4H,3H2,1-2H3;14*5H,4H2,1-3H3;2*1-3H,(H,4,5);4*1-3H;3*1-2H,(H,3,4,5);5*1-2H;14*1-2H3.

What are the key properties of ethane;1H-imidazole;tetradecakis(2-methylbutane);1-methyl-5-(2-methylpropyl)tetrazole;2-methyl-5-(2-methylpropyl)tetrazole;4-(2-methylpropyl)-1,2,3,5-oxatriazole;5-(2-methylpropyl)oxatriazole;4-(2-methylpropyl)-1,2,3,5-thiatriazole;5-(2-methylpropyl)thiatriazole;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole?

ethane;1H-imidazole;tetradecakis(2-methylbutane);1-methyl-5-(2-methylpropyl)tetrazole;2-methyl-5-(2-methylpropyl)tetrazole;4-(2-methylpropyl)-1,2,3,5-oxatriazole;5-(2-methylpropyl)oxatriazole;4-(2-methylpropyl)-1,2,3,5-thiatriazole;5-(2-methylpropyl)thiatriazole;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole has a molecular weight of 3286.34 g/mol, XLogP of 52.66, 26 rotatable bonds, 5 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1H-imidazole;tetradecakis(2-methylbutane);1-methyl-5-(2-methylpropyl)tetrazole;2-methyl-5-(2-methylpropyl)tetrazole;4-(2-methylpropyl)-1,2,3,5-oxatriazole;5-(2-methylpropyl)oxatriazole;4-(2-methylpropyl)-1,2,3,5-thiatriazole;5-(2-methylpropyl)thiatriazole;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole is sourced from PubChem (CID 158686031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).