undecakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;1H-pyrazole;pyridazine;thiatriazole;1,2,3,5-thiatriazole;triazine;1,2,4-triazine

C74H144N28O6S2 — CID 158429234

About undecakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;1H-pyrazole;pyridazine;thiatriazole;1,2,3,5-thiatriazole;triazine;1,2,4-triazine

undecakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;1H-pyrazole;pyridazine;thiatriazole;1,2,3,5-thiatriazole;triazine;1,2,4-triazine (PubChem CID 158429234) has the molecular formula C74H144N28O6S2 and a molecular weight of 1586.29 g/mol. Its IUPAC name is undecakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;1H-pyrazole;pyridazine;thiatriazole;1,2,3,5-thiatriazole;triazine;1,2,4-triazine.

Molecular Properties

• Compound Name: undecakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;1H-pyrazole;pyridazine;thiatriazole;1,2,3,5-thiatriazole;triazine;1,2,4-triazine
• PubChem CID: 158429234
• Molecular Formula: C74H144N28O6S2
• Molecular Weight: 1586.29 g/mol
• Exact Mass: 1585.13
• IUPAC Name: undecakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;1H-pyrazole;pyridazine;thiatriazole;1,2,3,5-thiatriazole;triazine;1,2,4-triazine
• SMILES: 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.c1ccnnc1.c1cn[nH]c1.c1cnncn1.c1cnnnc1.c1cnoc1.c1cnon1.c1cocn1.c1conn1.c1nnns1.c1nnon1.c1nnsn1
• InChI: InChI=1S/C4H7N3O.C4H4N2.11C4H10.2C3H3N3.C3H4N2.2C3H3NO.2C2H2N2O.CHN3O.2CHN3S/c1-3(2)4-5-6-7-8-4;1-2-4-6-5-3-1;11*1-4(2)3;1-2-5-6-3-4-1;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-4-3-1;2*1-2-4-5-3-1;1-2-3-4-5-1;1-2-4-5-3-1/h3H,1-2H3;1-4H;11*4H,1-3H3;2*1-3H;1-3H,(H,4,5);2*1-3H;2*1-2H;3*1H
• InChIKey: HBLIOIDNTNYLQS-UHFFFAOYSA-N
• XLogP: 20.32
• TPSA: 442.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 1
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1586.29
LogP ≤ 5	20.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of undecakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;1H-pyrazole;pyridazine;thiatriazole;1,2,3,5-thiatriazole;triazine;1,2,4-triazine?

The IUPAC name of undecakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;1H-pyrazole;pyridazine;thiatriazole;1,2,3,5-thiatriazole;triazine;1,2,4-triazine (CID 158429234) is undecakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;1H-pyrazole;pyridazine;thiatriazole;1,2,3,5-thiatriazole;triazine;1,2,4-triazine.

What is the SMILES notation for undecakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;1H-pyrazole;pyridazine;thiatriazole;1,2,3,5-thiatriazole;triazine;1,2,4-triazine?

The canonical SMILES for undecakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;1H-pyrazole;pyridazine;thiatriazole;1,2,3,5-thiatriazole;triazine;1,2,4-triazine is 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.c1ccnnc1.c1cn[nH]c1.c1cnncn1.c1cnnnc1.c1cnoc1.c1cnon1.c1cocn1.c1conn1.c1nnns1.c1nnon1.c1nnsn1.

What is the InChIKey of undecakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;1H-pyrazole;pyridazine;thiatriazole;1,2,3,5-thiatriazole;triazine;1,2,4-triazine?

The InChIKey is HBLIOIDNTNYLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O.C4H4N2.11C4H10.2C3H3N3.C3H4N2.2C3H3NO.2C2H2N2O.CHN3O.2CHN3S/c1-3(2)4-5-6-7-8-4;1-2-4-6-5-3-1;11*1-4(2)3;1-2-5-6-3-4-1;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-4-3-1;2*1-2-4-5-3-1;1-2-3-4-5-1;1-2-4-5-3-1/h3H,1-2H3;1-4H;11*4H,1-3H3;2*1-3H;1-3H,(H,4,5);2*1-3H;2*1-2H;3*1H.

What are the key properties of undecakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;1H-pyrazole;pyridazine;thiatriazole;1,2,3,5-thiatriazole;triazine;1,2,4-triazine?

undecakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;1H-pyrazole;pyridazine;thiatriazole;1,2,3,5-thiatriazole;triazine;1,2,4-triazine has a molecular weight of 1586.29 g/mol, XLogP of 20.32, 1 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for undecakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;1H-pyrazole;pyridazine;thiatriazole;1,2,3,5-thiatriazole;triazine;1,2,4-triazine is sourced from PubChem (CID 158429234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).