1,4-diaza-2-azoniacyclopenta-1,2,4-triene;ethane;furan;2H-imidazole;heptakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole

C69H144N11O4S2+ — CID 159032989

About 1,4-diaza-2-azoniacyclopenta-1,2,4-triene;ethane;furan;2H-imidazole;heptakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole

1,4-diaza-2-azoniacyclopenta-1,2,4-triene;ethane;furan;2H-imidazole;heptakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole (PubChem CID 159032989) has the molecular formula C69H144N11O4S2+ and a molecular weight of 1256.12 g/mol. Its IUPAC name is 1,4-diaza-2-azoniacyclopenta-1,2,4-triene;ethane;furan;2H-imidazole;heptakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole.

Molecular Properties

• Compound Name: 1,4-diaza-2-azoniacyclopenta-1,2,4-triene;ethane;furan;2H-imidazole;heptakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole
• PubChem CID: 159032989
• Molecular Formula: C69H144N11O4S2+
• Molecular Weight: 1256.12 g/mol
• Exact Mass: 1255.08
• IUPAC Name: 1,4-diaza-2-azoniacyclopenta-1,2,4-triene;ethane;furan;2H-imidazole;heptakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole
• SMILES: C1=NC=[N+]=N1.C1=NCN=C1.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.Cc1noc(C(C)C)n1.c1ccoc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1
• InChI: InChI=1S/C6H10N2O.C4H4O.7C4H10.C3H4N2.2C3H3NO.2C3H3NS.C2H2N3.7C2H6/c1-4(2)6-7-5(3)8-9-6;1-2-4-5-3-1;7*1-4(2)3;2*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;7*1-2/h4H,1-3H3;1-4H;7*4H,1-3H3;1-2H,3H2;4*1-3H;1-2H;7*1-2H3/q;;;;;;;;;;;;;;+1
• InChIKey: ATMQPWFLXHPACE-UHFFFAOYSA-N
• XLogP: 25.05
• TPSA: 193.44 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 1
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1256.12
LogP ≤ 5	25.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,4-diaza-2-azoniacyclopenta-1,2,4-triene;ethane;furan;2H-imidazole;heptakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole?

The IUPAC name of 1,4-diaza-2-azoniacyclopenta-1,2,4-triene;ethane;furan;2H-imidazole;heptakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole (CID 159032989) is 1,4-diaza-2-azoniacyclopenta-1,2,4-triene;ethane;furan;2H-imidazole;heptakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole.

What is the SMILES notation for 1,4-diaza-2-azoniacyclopenta-1,2,4-triene;ethane;furan;2H-imidazole;heptakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole?

The canonical SMILES for 1,4-diaza-2-azoniacyclopenta-1,2,4-triene;ethane;furan;2H-imidazole;heptakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole is C1=NC=[N+]=N1.C1=NCN=C1.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.Cc1noc(C(C)C)n1.c1ccoc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.

What is the InChIKey of 1,4-diaza-2-azoniacyclopenta-1,2,4-triene;ethane;furan;2H-imidazole;heptakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole?

The InChIKey is ATMQPWFLXHPACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.C4H4O.7C4H10.C3H4N2.2C3H3NO.2C3H3NS.C2H2N3.7C2H6/c1-4(2)6-7-5(3)8-9-6;1-2-4-5-3-1;7*1-4(2)3;2*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;7*1-2/h4H,1-3H3;1-4H;7*4H,1-3H3;1-2H,3H2;4*1-3H;1-2H;7*1-2H3/q;;;;;;;;;;;;;;+1;;;;;;;.

What are the key properties of 1,4-diaza-2-azoniacyclopenta-1,2,4-triene;ethane;furan;2H-imidazole;heptakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole?

1,4-diaza-2-azoniacyclopenta-1,2,4-triene;ethane;furan;2H-imidazole;heptakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole has a molecular weight of 1256.12 g/mol, XLogP of 25.05, 1 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-diaza-2-azoniacyclopenta-1,2,4-triene;ethane;furan;2H-imidazole;heptakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole is sourced from PubChem (CID 159032989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).