ethane;1H-imidazole;heptadecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4-propan-2-yl-1,2,3,5-oxatriazole;5-propan-2-yloxatriazole;4-propan-2-yl-1,2,3,5-thiatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole

C156H345N49O7S7 — CID 159313605

About ethane;1H-imidazole;heptadecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4-propan-2-yl-1,2,3,5-oxatriazole;5-propan-2-yloxatriazole;4-propan-2-yl-1,2,3,5-thiatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole

ethane;1H-imidazole;heptadecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4-propan-2-yl-1,2,3,5-oxatriazole;5-propan-2-yloxatriazole;4-propan-2-yl-1,2,3,5-thiatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole (PubChem CID 159313605) has the molecular formula C156H345N49O7S7 and a molecular weight of 3244.28 g/mol. Its IUPAC name is ethane;1H-imidazole;heptadecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4-propan-2-yl-1,2,3,5-oxatriazole;5-propan-2-yloxatriazole;4-propan-2-yl-1,2,3,5-thiatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;1,2,4-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;heptadecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4-propan-2-yl-1,2,3,5-oxatriazole;5-propan-2-yloxatriazole;4-propan-2-yl-1,2,3,5-thiatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole
• PubChem CID: 159313605
• Molecular Formula: C156H345N49O7S7
• Molecular Weight: 3244.28 g/mol
• Exact Mass: 3241.62
• IUPAC Name: ethane;1H-imidazole;heptadecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4-propan-2-yl-1,2,3,5-oxatriazole;5-propan-2-yloxatriazole;4-propan-2-yl-1,2,3,5-thiatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;1,2,4-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.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1nnno1.CC(C)c1nnns1.CC(C)c1nnon1.CC(C)c1nnsn1.c1c[nH]cn1.c1cn[nH]c1.c1cn[nH]n1.c1cnoc1.c1cnsc1.c1cocn1.c1conn1.c1cscn1.c1csnn1.c1nc[nH]n1.c1nc[nH]n1.c1ncon1.c1ncsn1.c1nn[nH]n1.c1nn[nH]n1.c1nnco1.c1nncs1
• InChI: InChI=1S/2C4H7N3O.2C4H7N3S.17C4H10.2C3H4N2.2C3H3NO.2C3H3NS.3C2H3N3.3C2H2N2O.3C2H2N2S.17C2H6.2CH2N4/c1-3(2)4-5-6-7-8-4;1-3(2)4-5-7-8-6-4;1-3(2)4-5-6-7-8-4;1-3(2)4-5-7-8-6-4;17*1-4(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;1-3-2-5-4-1;1-2-5-4-3-1;17*1-2;2*1-2-4-5-3-1/h4*3H,1-2H3;17*4H,1-3H3;2*1-3H,(H,4,5);4*1-3H;3*1-2H,(H,3,4,5);6*1-2H;17*1-2H3;2*1H,(H,2,3,4,5)
• InChIKey: LCVXFTLCCQHAJV-UHFFFAOYSA-N
• XLogP: 53.08
• TPSA: 743.89 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 56
• Rotatable Bonds: 4
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3244.28
LogP ≤ 5	53.08
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	56

Frequently Asked Questions

What is the IUPAC name of ethane;1H-imidazole;heptadecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4-propan-2-yl-1,2,3,5-oxatriazole;5-propan-2-yloxatriazole;4-propan-2-yl-1,2,3,5-thiatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;1,2,4-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;heptadecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4-propan-2-yl-1,2,3,5-oxatriazole;5-propan-2-yloxatriazole;4-propan-2-yl-1,2,3,5-thiatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole (CID 159313605) is ethane;1H-imidazole;heptadecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4-propan-2-yl-1,2,3,5-oxatriazole;5-propan-2-yloxatriazole;4-propan-2-yl-1,2,3,5-thiatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;1,2,4-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;heptadecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4-propan-2-yl-1,2,3,5-oxatriazole;5-propan-2-yloxatriazole;4-propan-2-yl-1,2,3,5-thiatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;1,2,4-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;heptadecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4-propan-2-yl-1,2,3,5-oxatriazole;5-propan-2-yloxatriazole;4-propan-2-yl-1,2,3,5-thiatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;1,2,4-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.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1nnno1.CC(C)c1nnns1.CC(C)c1nnon1.CC(C)c1nnsn1.c1c[nH]cn1.c1cn[nH]c1.c1cn[nH]n1.c1cnoc1.c1cnsc1.c1cocn1.c1conn1.c1cscn1.c1csnn1.c1nc[nH]n1.c1nc[nH]n1.c1ncon1.c1ncsn1.c1nn[nH]n1.c1nn[nH]n1.c1nnco1.c1nncs1.

What is the InChIKey of ethane;1H-imidazole;heptadecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4-propan-2-yl-1,2,3,5-oxatriazole;5-propan-2-yloxatriazole;4-propan-2-yl-1,2,3,5-thiatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole?

The InChIKey is LCVXFTLCCQHAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H7N3O.2C4H7N3S.17C4H10.2C3H4N2.2C3H3NO.2C3H3NS.3C2H3N3.3C2H2N2O.3C2H2N2S.17C2H6.2CH2N4/c1-3(2)4-5-6-7-8-4;1-3(2)4-5-7-8-6-4;1-3(2)4-5-6-7-8-4;1-3(2)4-5-7-8-6-4;17*1-4(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;1-3-2-5-4-1;1-2-5-4-3-1;17*1-2;2*1-2-4-5-3-1/h4*3H,1-2H3;17*4H,1-3H3;2*1-3H,(H,4,5);4*1-3H;3*1-2H,(H,3,4,5);6*1-2H;17*1-2H3;2*1H,(H,2,3,4,5).

What are the key properties of ethane;1H-imidazole;heptadecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4-propan-2-yl-1,2,3,5-oxatriazole;5-propan-2-yloxatriazole;4-propan-2-yl-1,2,3,5-thiatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole?

ethane;1H-imidazole;heptadecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4-propan-2-yl-1,2,3,5-oxatriazole;5-propan-2-yloxatriazole;4-propan-2-yl-1,2,3,5-thiatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole has a molecular weight of 3244.28 g/mol, XLogP of 53.08, 4 rotatable bonds, 7 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1H-imidazole;heptadecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4-propan-2-yl-1,2,3,5-oxatriazole;5-propan-2-yloxatriazole;4-propan-2-yl-1,2,3,5-thiatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole is sourced from PubChem (CID 159313605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).