2-chloro-N-[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclohexylimidazol-4-amine;1-(1-cyclohexylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclohexyl-4-(4-nitroimidazol-1-yl)imidazole;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1,4-dinitroimidazole;methane;methanol;molecular hydrogen;[(2S)-pyrrolidin-2-yl]methanol

C92H129Cl3N38O9 — CID 167581166

About 2-chloro-N-[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclohexylimidazol-4-amine;1-(1-cyclohexylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclohexyl-4-(4-nitroimidazol-1-yl)imidazole;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1,4-dinitroimidazole;methane;methanol;molecular hydrogen;[(2S)-pyrrolidin-2-yl]methanol

2-chloro-N-[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclohexylimidazol-4-amine;1-(1-cyclohexylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclohexyl-4-(4-nitroimidazol-1-yl)imidazole;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1,4-dinitroimidazole;methane;methanol;molecular hydrogen;[(2S)-pyrrolidin-2-yl]methanol (PubChem CID 167581166) has the molecular formula C92H129Cl3N38O9 and a molecular weight of 2017.66 g/mol. Its IUPAC name is 2-chloro-N-[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclohexylimidazol-4-amine;1-(1-cyclohexylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclohexyl-4-(4-nitroimidazol-1-yl)imidazole;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1,4-dinitroimidazole;methane;methanol;molecular hydrogen;[(2S)-pyrrolidin-2-yl]methanol.

Molecular Properties

• Compound Name: 2-chloro-N-[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclohexylimidazol-4-amine;1-(1-cyclohexylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclohexyl-4-(4-nitroimidazol-1-yl)imidazole;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1,4-dinitroimidazole;methane;methanol;molecular hydrogen;[(2S)-pyrrolidin-2-yl]methanol
• PubChem CID: 167581166
• Molecular Formula: C92H129Cl3N38O9
• Molecular Weight: 2017.66 g/mol
• Exact Mass: 2014.99
• IUPAC Name: 2-chloro-N-[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclohexylimidazol-4-amine;1-(1-cyclohexylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclohexyl-4-(4-nitroimidazol-1-yl)imidazole;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1,4-dinitroimidazole;methane;methanol;molecular hydrogen;[(2S)-pyrrolidin-2-yl]methanol
• SMILES: C.C.C.CO.Clc1nc(Cl)c2cccn2n1.Clc1nc(Nc2cn(-c3cn(C4CCCCC4)cn3)cn2)c2cccn2n1.Nc1cn(-c2cn(C3CCCCC3)cn2)cn1.Nc1cn(C2CCCCC2)cn1.O=[N+]([O-])c1cn(-c2cn(C3CCCCC3)cn2)cn1.O=[N+]([O-])c1cn([N+](=O)[O-])cn1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Nc2cn(-c3cn(C4CCCCC4)cn3)cn2)c2cccn2n1.[H][H]
• InChI: InChI=1S/C23H29N9O.C18H19ClN8.C12H15N5O2.C12H17N5.C9H15N3.C6H3Cl2N3.C5H11NO.C3H2N4O4.CH4O.3CH4.H2/c33-14-18-8-4-10-31(18)23-27-22(19-9-5-11-32(19)28-23)26-20-12-30(15-24-20)21-13-29(16-25-21)17-6-2-1-3-7-17;19-18-23-17(14-7-4-8-27(14)24-18)22-15-9-26(11-20-15)16-10-25(12-21-16)13-5-2-1-3-6-13;18-17(19)12-7-16(9-14-12)11-6-15(8-13-11)10-4-2-1-3-5-10;13-11-6-17(8-14-11)12-7-16(9-15-12)10-4-2-1-3-5-10;10-9-6-12(7-11-9)8-4-2-1-3-5-8;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5;8-6(9)3-1-5(2-4-3)7(10)11;1-2;;;;/h5,9,11-13,15-18,33H,1-4,6-8,10,14H2,(H,26,27,28);4,7-13H,1-3,5-6H2,(H,22,23,24);6-10H,1-5H2;6-10H,1-5,13H2;6-8H,1-5,10H2;1-3H;5-7H,1-4H2;1-2H;2H,1H3;3*1H4;1H/t18-;;;;;;5-;;;;;;/m0.....0....../s1
• InChIKey: HEUNDJDPMCSGDR-SKLIKUHRSA-N
• XLogP: 17.30
• TPSA: 550.25 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 44
• Rotatable Bonds: 19
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2017.66
LogP ≤ 5	17.30
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclohexylimidazol-4-amine;1-(1-cyclohexylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclohexyl-4-(4-nitroimidazol-1-yl)imidazole;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1,4-dinitroimidazole;methane;methanol;molecular hydrogen;[(2S)-pyrrolidin-2-yl]methanol?

The IUPAC name of 2-chloro-N-[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclohexylimidazol-4-amine;1-(1-cyclohexylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclohexyl-4-(4-nitroimidazol-1-yl)imidazole;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1,4-dinitroimidazole;methane;methanol;molecular hydrogen;[(2S)-pyrrolidin-2-yl]methanol (CID 167581166) is 2-chloro-N-[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclohexylimidazol-4-amine;1-(1-cyclohexylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclohexyl-4-(4-nitroimidazol-1-yl)imidazole;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1,4-dinitroimidazole;methane;methanol;molecular hydrogen;[(2S)-pyrrolidin-2-yl]methanol.

What is the SMILES notation for 2-chloro-N-[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclohexylimidazol-4-amine;1-(1-cyclohexylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclohexyl-4-(4-nitroimidazol-1-yl)imidazole;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1,4-dinitroimidazole;methane;methanol;molecular hydrogen;[(2S)-pyrrolidin-2-yl]methanol?

The canonical SMILES for 2-chloro-N-[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclohexylimidazol-4-amine;1-(1-cyclohexylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclohexyl-4-(4-nitroimidazol-1-yl)imidazole;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1,4-dinitroimidazole;methane;methanol;molecular hydrogen;[(2S)-pyrrolidin-2-yl]methanol is C.C.C.CO.Clc1nc(Cl)c2cccn2n1.Clc1nc(Nc2cn(-c3cn(C4CCCCC4)cn3)cn2)c2cccn2n1.Nc1cn(-c2cn(C3CCCCC3)cn2)cn1.Nc1cn(C2CCCCC2)cn1.O=[N+]([O-])c1cn(-c2cn(C3CCCCC3)cn2)cn1.O=[N+]([O-])c1cn([N+](=O)[O-])cn1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Nc2cn(-c3cn(C4CCCCC4)cn3)cn2)c2cccn2n1.[H][H].

What is the InChIKey of 2-chloro-N-[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclohexylimidazol-4-amine;1-(1-cyclohexylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclohexyl-4-(4-nitroimidazol-1-yl)imidazole;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1,4-dinitroimidazole;methane;methanol;molecular hydrogen;[(2S)-pyrrolidin-2-yl]methanol?

The InChIKey is HEUNDJDPMCSGDR-SKLIKUHRSA-N. The full InChI is InChI=1S/C23H29N9O.C18H19ClN8.C12H15N5O2.C12H17N5.C9H15N3.C6H3Cl2N3.C5H11NO.C3H2N4O4.CH4O.3CH4.H2/c33-14-18-8-4-10-31(18)23-27-22(19-9-5-11-32(19)28-23)26-20-12-30(15-24-20)21-13-29(16-25-21)17-6-2-1-3-7-17;19-18-23-17(14-7-4-8-27(14)24-18)22-15-9-26(11-20-15)16-10-25(12-21-16)13-5-2-1-3-6-13;18-17(19)12-7-16(9-14-12)11-6-15(8-13-11)10-4-2-1-3-5-10;13-11-6-17(8-14-11)12-7-16(9-15-12)10-4-2-1-3-5-10;10-9-6-12(7-11-9)8-4-2-1-3-5-8;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5;8-6(9)3-1-5(2-4-3)7(10)11;1-2;;;;/h5,9,11-13,15-18,33H,1-4,6-8,10,14H2,(H,26,27,28);4,7-13H,1-3,5-6H2,(H,22,23,24);6-10H,1-5H2;6-10H,1-5,13H2;6-8H,1-5,10H2;1-3H;5-7H,1-4H2;1-2H;2H,1H3;3*1H4;1H/t18-;;;;;;5-;;;;;;/m0.....0....../s1.

What are the key properties of 2-chloro-N-[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclohexylimidazol-4-amine;1-(1-cyclohexylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclohexyl-4-(4-nitroimidazol-1-yl)imidazole;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1,4-dinitroimidazole;methane;methanol;molecular hydrogen;[(2S)-pyrrolidin-2-yl]methanol?

2-chloro-N-[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclohexylimidazol-4-amine;1-(1-cyclohexylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclohexyl-4-(4-nitroimidazol-1-yl)imidazole;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1,4-dinitroimidazole;methane;methanol;molecular hydrogen;[(2S)-pyrrolidin-2-yl]methanol has a molecular weight of 2017.66 g/mol, XLogP of 17.30, 19 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclohexylimidazol-4-amine;1-(1-cyclohexylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclohexylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclohexyl-4-(4-nitroimidazol-1-yl)imidazole;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1,4-dinitroimidazole;methane;methanol;molecular hydrogen;[(2S)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 167581166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).