nonakis(2,2-dimethylpropane);2-methylpropane;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole

C70H144N24O3S2 — CID 157269807

About nonakis(2,2-dimethylpropane);2-methylpropane;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole

nonakis(2,2-dimethylpropane);2-methylpropane;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole (PubChem CID 157269807) has the molecular formula C70H144N24O3S2 and a molecular weight of 1434.22 g/mol. Its IUPAC name is nonakis(2,2-dimethylpropane);2-methylpropane;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole.

Molecular Properties

• Compound Name: nonakis(2,2-dimethylpropane);2-methylpropane;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
• PubChem CID: 157269807
• Molecular Formula: C70H144N24O3S2
• Molecular Weight: 1434.22 g/mol
• Exact Mass: 1433.13
• IUPAC Name: nonakis(2,2-dimethylpropane);2-methylpropane;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
• SMILES: CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.c1cn[nH]c1.c1cn[nH]n1.c1cnoc1.c1cnon1.c1cnsc1.c1cscn1.c1nc[nH]n1.c1nn[nH]n1.c1nn[nH]n1.c1nnon1
• InChI: InChI=1S/9C5H12.C4H10.C3H4N2.C3H3NO.2C3H3NS.2C2H3N3.C2H2N2O.2CH2N4.CHN3O/c9*1-5(2,3)4;1-4(2)3;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;5*1-2-4-5-3-1/h9*1-4H3;4H,1-3H3;1-3H,(H,4,5);3*1-3H;2*1-2H,(H,3,4,5);1-2H;2*1H,(H,2,3,4,5);1H
• InChIKey: AYKDUENMGAOGPH-UHFFFAOYSA-N
• XLogP: 21.05
• TPSA: 363.28 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1434.22
LogP ≤ 5	21.05
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of nonakis(2,2-dimethylpropane);2-methylpropane;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole?

The IUPAC name of nonakis(2,2-dimethylpropane);2-methylpropane;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole (CID 157269807) is nonakis(2,2-dimethylpropane);2-methylpropane;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole.

What is the SMILES notation for nonakis(2,2-dimethylpropane);2-methylpropane;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole?

The canonical SMILES for nonakis(2,2-dimethylpropane);2-methylpropane;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.c1cn[nH]c1.c1cn[nH]n1.c1cnoc1.c1cnon1.c1cnsc1.c1cscn1.c1nc[nH]n1.c1nn[nH]n1.c1nn[nH]n1.c1nnon1.

What is the InChIKey of nonakis(2,2-dimethylpropane);2-methylpropane;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole?

The InChIKey is AYKDUENMGAOGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/9C5H12.C4H10.C3H4N2.C3H3NO.2C3H3NS.2C2H3N3.C2H2N2O.2CH2N4.CHN3O/c9*1-5(2,3)4;1-4(2)3;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;5*1-2-4-5-3-1/h9*1-4H3;4H,1-3H3;1-3H,(H,4,5);3*1-3H;2*1-2H,(H,3,4,5);1-2H;2*1H,(H,2,3,4,5);1H.

What are the key properties of nonakis(2,2-dimethylpropane);2-methylpropane;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole?

nonakis(2,2-dimethylpropane);2-methylpropane;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole has a molecular weight of 1434.22 g/mol, XLogP of 21.05, 0 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for nonakis(2,2-dimethylpropane);2-methylpropane;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole is sourced from PubChem (CID 157269807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).