decakis(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;1H-1,2,4-triazole

C78H149N31O6S2 — CID 159550278

About decakis(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;1H-1,2,4-triazole

decakis(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;1H-1,2,4-triazole (PubChem CID 159550278) has the molecular formula C78H149N31O6S2 and a molecular weight of 1681.39 g/mol. Its IUPAC name is decakis(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;1H-1,2,4-triazole.

Molecular Properties

• Compound Name: decakis(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;1H-1,2,4-triazole
• PubChem CID: 159550278
• Molecular Formula: C78H149N31O6S2
• Molecular Weight: 1681.39 g/mol
• Exact Mass: 1680.17
• IUPAC Name: decakis(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;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)C.CC(C)c1cnon1.CC(C)c1nnno1.CC(C)c1nnns1.c1ccnnc1.c1cn[nH]c1.c1cnncn1.c1cnnnc1.c1cnoc1.c1cocn1.c1conn1.c1nc[nH]n1.c1nnon1.c1nnsn1
• InChI: InChI=1S/C5H8N2O.C4H7N3O.C4H7N3S.C4H4N2.10C4H10.2C3H3N3.C3H4N2.2C3H3NO.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;10*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;1-3-2-5-4-1;1-2-5-4-3-1;2*1-2-4-5-3-1/h3-4H,1-2H3;2*3H,1-2H3;1-4H;10*4H,1-3H3;2*1-3H;1-3H,(H,4,5);2*1-3H;1-2H,(H,3,4,5);1-2H;2*1H
• InChIKey: MFHLZPCFKVSTHM-UHFFFAOYSA-N
• XLogP: 20.71
• TPSA: 484.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 37
• Rotatable Bonds: 3
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1681.39
LogP ≤ 5	20.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of decakis(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;1H-1,2,4-triazole?

The IUPAC name of decakis(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;1H-1,2,4-triazole (CID 159550278) is decakis(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;1H-1,2,4-triazole.

What is the SMILES notation for decakis(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;1H-1,2,4-triazole?

The canonical SMILES for decakis(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;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)C.CC(C)c1cnon1.CC(C)c1nnno1.CC(C)c1nnns1.c1ccnnc1.c1cn[nH]c1.c1cnncn1.c1cnnnc1.c1cnoc1.c1cocn1.c1conn1.c1nc[nH]n1.c1nnon1.c1nnsn1.

What is the InChIKey of decakis(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;1H-1,2,4-triazole?

The InChIKey is MFHLZPCFKVSTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.C4H7N3O.C4H7N3S.C4H4N2.10C4H10.2C3H3N3.C3H4N2.2C3H3NO.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;10*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;1-3-2-5-4-1;1-2-5-4-3-1;2*1-2-4-5-3-1/h3-4H,1-2H3;2*3H,1-2H3;1-4H;10*4H,1-3H3;2*1-3H;1-3H,(H,4,5);2*1-3H;1-2H,(H,3,4,5);1-2H;2*1H.

What are the key properties of decakis(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;1H-1,2,4-triazole?

decakis(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;1H-1,2,4-triazole has a molecular weight of 1681.39 g/mol, XLogP of 20.71, 3 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for decakis(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;1H-1,2,4-triazole is sourced from PubChem (CID 159550278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).