3-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)oxy]propyl-trimethylazanium;3-(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)propyl-trimethylazanium;3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;carbanide

C₈₅H₁₄₇N₂₁O₃ — CID 159664228

About 3-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)oxy]propyl-trimethylazanium;3-(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)propyl-trimethylazanium;3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;carbanide

3-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)oxy]propyl-trimethylazanium;3-(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)propyl-trimethylazanium;3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;carbanide (PubChem CID 159664228) has the molecular formula C₈₅H₁₄₇N₂₁O₃ and a molecular weight of 1511.25 g/mol. Its IUPAC name is 3-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)oxy]propyl-trimethylazanium;3-(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)propyl-trimethylazanium;3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;carbanide.

Molecular Properties

• Compound Name: 3-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)oxy]propyl-trimethylazanium;3-(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)propyl-trimethylazanium;3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;carbanide
• PubChem CID: 159664228
• Molecular Formula: C₈₅H₁₄₇N₂₁O₃
• Molecular Weight: 1511.25 g/mol
• Exact Mass: 1510.20
• IUPAC Name: 3-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)oxy]propyl-trimethylazanium;3-(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)propyl-trimethylazanium;3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;carbanide
• SMILES: C[N+](C)(C)CCCOc1nn2c3c(ccc2c1N)CCC3.C[N+](C)(C)CCCc1nn2c3c(ccc2c1N)CCC3.Cc1ccc2c(N)c(NCCC[N+](C)(C)C)nn2c1C.Cc1ccc2c(N)c(OCCC[N+](C)(C)C)nn2c1C.Cc1ccc2c(N)c(OCC[N+](C)(C(C)C)C(C)C)nn2c1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
• InChI: InChI=1S/C18H31N4O.C16H25N4O.C16H25N4.C15H26N5.C15H25N4O.5CH3/c1-12(2)22(7,13(3)4)10-11-23-18-17(19)16-9-8-14(5)15(6)21(16)20-18;1-20(2,3)10-5-11-21-16-15(17)14-9-8-12-6-4-7-13(12)19(14)18-16;1-20(2,3)11-5-7-13-16(17)15-10-9-12-6-4-8-14(12)19(15)18-13;1-11-7-8-13-14(16)15(18-19(13)12(11)2)17-9-6-10-20(3,4)5;1-11-7-8-13-14(16)15(17-18(13)12(11)2)20-10-6-9-19(3,4)5;;;;;/h8-9,12-13H,10-11,19H2,1-7H3;8-9H,4-7,10-11,17H2,1-3H3;9-10H,4-8,11,17H2,1-3H3;7-8H,6,9-10,16H2,1-5H3,(H,17,18);7-8H,6,9-10,16H2,1-5H3;5*1H3/q5*+1;5*-1
• InChIKey: MTETXBLSKMOEOY-UHFFFAOYSA-N
• XLogP: 13.40
• TPSA: 256.32 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 25
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1511.25
LogP ≤ 5	13.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)oxy]propyl-trimethylazanium;3-(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)propyl-trimethylazanium;3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;carbanide?

The IUPAC name of 3-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)oxy]propyl-trimethylazanium;3-(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)propyl-trimethylazanium;3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;carbanide (CID 159664228) is 3-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)oxy]propyl-trimethylazanium;3-(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)propyl-trimethylazanium;3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;carbanide.

What is the SMILES notation for 3-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)oxy]propyl-trimethylazanium;3-(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)propyl-trimethylazanium;3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;carbanide?

The canonical SMILES for 3-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)oxy]propyl-trimethylazanium;3-(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)propyl-trimethylazanium;3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;carbanide is C[N+](C)(C)CCCOc1nn2c3c(ccc2c1N)CCC3.C[N+](C)(C)CCCc1nn2c3c(ccc2c1N)CCC3.Cc1ccc2c(N)c(NCCC[N+](C)(C)C)nn2c1C.Cc1ccc2c(N)c(OCCC[N+](C)(C)C)nn2c1C.Cc1ccc2c(N)c(OCC[N+](C)(C(C)C)C(C)C)nn2c1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].

What is the InChIKey of 3-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)oxy]propyl-trimethylazanium;3-(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)propyl-trimethylazanium;3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;carbanide?

The InChIKey is MTETXBLSKMOEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N4O.C16H25N4O.C16H25N4.C15H26N5.C15H25N4O.5CH3/c1-12(2)22(7,13(3)4)10-11-23-18-17(19)16-9-8-14(5)15(6)21(16)20-18;1-20(2,3)10-5-11-21-16-15(17)14-9-8-12-6-4-7-13(12)19(14)18-16;1-20(2,3)11-5-7-13-16(17)15-10-9-12-6-4-8-14(12)19(15)18-13;1-11-7-8-13-14(16)15(18-19(13)12(11)2)17-9-6-10-20(3,4)5;1-11-7-8-13-14(16)15(17-18(13)12(11)2)20-10-6-9-19(3,4)5;;;;;/h8-9,12-13H,10-11,19H2,1-7H3;8-9H,4-7,10-11,17H2,1-3H3;9-10H,4-8,11,17H2,1-3H3;7-8H,6,9-10,16H2,1-5H3,(H,17,18);7-8H,6,9-10,16H2,1-5H3;5*1H3/q5*+1;5*-1.

What are the key properties of 3-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)oxy]propyl-trimethylazanium;3-(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)propyl-trimethylazanium;3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;carbanide?

3-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)oxy]propyl-trimethylazanium;3-(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)propyl-trimethylazanium;3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;carbanide has a molecular weight of 1511.25 g/mol, XLogP of 13.40, 25 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)oxy]propyl-trimethylazanium;3-(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)propyl-trimethylazanium;3-[(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;2-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium;3-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxypropyl-trimethylazanium;carbanide is sourced from PubChem (CID 159664228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159664228 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.