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;pyridazine;1,2,3,5-thiatriazole;triazine;1,2,4-triazine;1H-1,2,4-triazole

C71H135N29O6S2 — CID 159663097

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;pyridazine;1,2,3,5-thiatriazole;triazine;1,2,4-triazine;1H-1,2,4-triazole

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;pyridazine;1,2,3,5-thiatriazole;triazine;1,2,4-triazine;1H-1,2,4-triazole (PubChem CID 159663097) has the molecular formula C71H135N29O6S2 and a molecular weight of 1555.19 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;pyridazine;1,2,3,5-thiatriazole;triazine;1,2,4-triazine;1H-1,2,4-triazole.

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;pyridazine;1,2,3,5-thiatriazole;triazine;1,2,4-triazine;1H-1,2,4-triazole
• PubChem CID: 159663097
• Molecular Formula: C71H135N29O6S2
• Molecular Weight: 1555.19 g/mol
• Exact Mass: 1554.06
• 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;pyridazine;1,2,3,5-thiatriazole;triazine;1,2,4-triazine;1H-1,2,4-triazole
• 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.c1cnncn1.c1cnnnc1.c1cnoc1.c1cocn1.c1conn1.c1nc[nH]n1.c1nnon1.c1nnsn1
• InChI: InChI=1S/C5H8N2O.C4H7N3O.C4H7N3S.C4H4N2.9C4H10.2C3H3N3.2C3H3NO.C2H3N3.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;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;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;2*1-3H;1-2H,(H,3,4,5);1-2H;2*1H
• InChIKey: MTBIAPZQCHURTE-UHFFFAOYSA-N
• XLogP: 18.64
• TPSA: 455.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 36
• Rotatable Bonds: 3
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1555.19
LogP ≤ 5	18.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	36

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;pyridazine;1,2,3,5-thiatriazole;triazine;1,2,4-triazine;1H-1,2,4-triazole?

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;pyridazine;1,2,3,5-thiatriazole;triazine;1,2,4-triazine;1H-1,2,4-triazole (CID 159663097) 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;pyridazine;1,2,3,5-thiatriazole;triazine;1,2,4-triazine;1H-1,2,4-triazole.

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;pyridazine;1,2,3,5-thiatriazole;triazine;1,2,4-triazine;1H-1,2,4-triazole?

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;pyridazine;1,2,3,5-thiatriazole;triazine;1,2,4-triazine;1H-1,2,4-triazole 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.c1cnncn1.c1cnnnc1.c1cnoc1.c1cocn1.c1conn1.c1nc[nH]n1.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;pyridazine;1,2,3,5-thiatriazole;triazine;1,2,4-triazine;1H-1,2,4-triazole?

The InChIKey is MTBIAPZQCHURTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.C4H7N3O.C4H7N3S.C4H4N2.9C4H10.2C3H3N3.2C3H3NO.C2H3N3.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;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;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;2*1-3H;1-2H,(H,3,4,5);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;pyridazine;1,2,3,5-thiatriazole;triazine;1,2,4-triazine;1H-1,2,4-triazole?

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;pyridazine;1,2,3,5-thiatriazole;triazine;1,2,4-triazine;1H-1,2,4-triazole has a molecular weight of 1555.19 g/mol, XLogP of 18.64, 3 rotatable bonds, 1 hydrogen bond donors, and 36 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;pyridazine;1,2,3,5-thiatriazole;triazine;1,2,4-triazine;1H-1,2,4-triazole is sourced from PubChem (CID 159663097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).