ethane;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole

C75H170N20O4 — CID 161059785

About ethane;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole

ethane;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole (PubChem CID 161059785) has the molecular formula C75H170N20O4 and a molecular weight of 1416.32 g/mol. Its IUPAC name is ethane;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole.

Molecular Properties

• Compound Name: ethane;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole
• PubChem CID: 161059785
• Molecular Formula: C75H170N20O4
• Molecular Weight: 1416.32 g/mol
• Exact Mass: 1415.37
• IUPAC Name: ethane;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.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.c1c[nH]cn1.c1cn[nH]c1.c1cn[nH]n1.c1cnoc1.c1cocn1.c1nc[nH]n1.c1ncon1.c1nn[nH]n1.c1nnco1
• InChI: InChI=1S/9C4H10.2C3H4N2.2C3H3NO.2C2H3N3.2C2H2N2O.9C2H6.CH2N4/c9*1-4(2)3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;9*1-2;1-2-4-5-3-1/h9*4H,1-3H3;2*1-3H,(H,4,5);2*1-3H;2*1-2H,(H,3,4,5);2*1-2H;9*1-2H3;1H,(H,2,3,4,5)
• InChIKey: UDGBASQWHAGSGS-UHFFFAOYSA-N
• XLogP: 25.31
• TPSA: 324.86 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1416.32
LogP ≤ 5	25.31
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of ethane;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole?

The IUPAC name of ethane;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole (CID 161059785) is ethane;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole.

What is the SMILES notation for ethane;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole?

The canonical SMILES for ethane;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.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.c1c[nH]cn1.c1cn[nH]c1.c1cn[nH]n1.c1cnoc1.c1cocn1.c1nc[nH]n1.c1ncon1.c1nn[nH]n1.c1nnco1.

What is the InChIKey of ethane;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole?

The InChIKey is UDGBASQWHAGSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/9C4H10.2C3H4N2.2C3H3NO.2C2H3N3.2C2H2N2O.9C2H6.CH2N4/c9*1-4(2)3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;9*1-2;1-2-4-5-3-1/h9*4H,1-3H3;2*1-3H,(H,4,5);2*1-3H;2*1-2H,(H,3,4,5);2*1-2H;9*1-2H3;1H,(H,2,3,4,5).

What are the key properties of ethane;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole?

ethane;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole has a molecular weight of 1416.32 g/mol, XLogP of 25.31, 0 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole is sourced from PubChem (CID 161059785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).