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

C₇₂H₁₃₆N₂₈O₆S₂ — CID 159460797

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

Nonakis(2-methylpropane);oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;pyridazine;1,2,3,5-thiatriazole;triazine;1,2,4-triazine (PubChem CID 159460797) has the molecular formula C₇₂H₁₃₆N₂₈O₆S₂ and a molecular weight of 1554.20 g/mol. Its IUPAC name is nonakis(2-methylpropane);oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;pyridazine;1,2,3,5-thiatriazole;triazine;1,2,4-triazine.

Molecular Properties

• Compound Name: Nonakis(2-methylpropane);oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;pyridazine;1,2,3,5-thiatriazole;triazine;1,2,4-triazine
• PubChem CID: 159460797
• Molecular Formula: C₇₂H₁₃₆N₂₈O₆S₂
• Molecular Weight: 1554.20 g/mol
• Exact Mass: 1553.06
• IUPAC Name: nonakis(2-methylpropane);oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;pyridazine;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)c1cnon1.CC(C)c1nnno1.CC(C)c1nnns1.c1ccnnc1.c1cn[nH]c1.c1cnncn1.c1cnnnc1.c1cnoc1.c1cocn1.c1conn1.c1nnon1.c1nnsn1
• InChI: InChI=1S/C5H8N2O.C4H7N3O.C4H7N3S.C4H4N2.9C4H10.2C3H3N3.C3H4N2.2C3H3NO.C2H2N2O.CHN3O.CHN3S/c1-4(2)5-3-6-8-7-5;2*1-3(2)4-5-6-7-8-4;1-2-4-6-5-3-1;9*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/h3-4H,1-2H3;2*3H,1-2H3;1-4H;9*4H,1-3H3;2*1-3H;1-3H,(H,4,5);2*1-3H;1-2H;2*1H
• InChIKey: LUOLGYQCWLUZKC-UHFFFAOYSA-N
• XLogP: 19.24
• TPSA: 442.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 3
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1554.20
LogP ≤ 5	19.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

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

The IUPAC name of Nonakis(2-methylpropane);oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;pyridazine;1,2,3,5-thiatriazole;triazine;1,2,4-triazine (CID 159460797) is nonakis(2-methylpropane);oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;pyridazine;1,2,3,5-thiatriazole;triazine;1,2,4-triazine.

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

The canonical SMILES for Nonakis(2-methylpropane);oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;pyridazine;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)c1cnon1.CC(C)c1nnno1.CC(C)c1nnns1.c1ccnnc1.c1cn[nH]c1.c1cnncn1.c1cnnnc1.c1cnoc1.c1cocn1.c1conn1.c1nnon1.c1nnsn1.

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

The InChIKey is LUOLGYQCWLUZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.C4H7N3O.C4H7N3S.C4H4N2.9C4H10.2C3H3N3.C3H4N2.2C3H3NO.C2H2N2O.CHN3O.CHN3S/c1-4(2)5-3-6-8-7-5;2*1-3(2)4-5-6-7-8-4;1-2-4-6-5-3-1;9*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/h3-4H,1-2H3;2*3H,1-2H3;1-4H;9*4H,1-3H3;2*1-3H;1-3H,(H,4,5);2*1-3H;1-2H;2*1H.

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

Nonakis(2-methylpropane);oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;pyridazine;1,2,3,5-thiatriazole;triazine;1,2,4-triazine has a molecular weight of 1554.20 g/mol, XLogP of 19.24, 3 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for Nonakis(2-methylpropane);oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;pyridazine;1,2,3,5-thiatriazole;triazine;1,2,4-triazine is sourced from PubChem (CID 159460797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159460797 — identifiers, structure, computed properties (public domain)

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