2-chloro-N-[1-(1-cyclopropylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopropylimidazol-4-amine;1-(1-cyclopropylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclopropylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclopropyl-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

C77H99Cl3N38O9 — CID 167603555

About 2-chloro-N-[1-(1-cyclopropylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopropylimidazol-4-amine;1-(1-cyclopropylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclopropylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclopropyl-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-cyclopropylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopropylimidazol-4-amine;1-(1-cyclopropylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclopropylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclopropyl-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 167603555) has the molecular formula C77H99Cl3N38O9 and a molecular weight of 1807.25 g/mol. Its IUPAC name is 2-chloro-N-[1-(1-cyclopropylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopropylimidazol-4-amine;1-(1-cyclopropylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclopropylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclopropyl-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-cyclopropylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopropylimidazol-4-amine;1-(1-cyclopropylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclopropylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclopropyl-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: 167603555
• Molecular Formula: C77H99Cl3N38O9
• Molecular Weight: 1807.25 g/mol
• Exact Mass: 1804.75
• IUPAC Name: 2-chloro-N-[1-(1-cyclopropylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopropylimidazol-4-amine;1-(1-cyclopropylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclopropylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclopropyl-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(C4CC4)cn3)cn2)c2cccn2n1.Nc1cn(-c2cn(C3CC3)cn2)cn1.Nc1cn(C2CC2)cn1.O=[N+]([O-])c1cn(-c2cn(C3CC3)cn2)cn1.O=[N+]([O-])c1cn([N+](=O)[O-])cn1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Nc2cn(-c3cn(C4CC4)cn3)cn2)c2cccn2n1.[H][H]
• InChI: InChI=1S/C20H23N9O.C15H13ClN8.C9H9N5O2.C9H11N5.C6H3Cl2N3.C6H9N3.C5H11NO.C3H2N4O4.CH4O.3CH4.H2/c30-11-15-3-1-7-28(15)20-24-19(16-4-2-8-29(16)25-20)23-17-9-27(12-21-17)18-10-26(13-22-18)14-5-6-14;16-15-20-14(11-2-1-5-24(11)21-15)19-12-6-23(8-17-12)13-7-22(9-18-13)10-3-4-10;15-14(16)9-4-13(6-11-9)8-3-12(5-10-8)7-1-2-7;10-8-3-14(5-11-8)9-4-13(6-12-9)7-1-2-7;7-5-4-2-1-3-11(4)10-6(8)9-5;7-6-3-9(4-8-6)5-1-2-5;7-4-5-2-1-3-6-5;8-6(9)3-1-5(2-4-3)7(10)11;1-2;;;;/h2,4,8-10,12-15,30H,1,3,5-7,11H2,(H,23,24,25);1-2,5-10H,3-4H2,(H,19,20,21);3-7H,1-2H2;3-7H,1-2,10H2;1-3H;3-5H,1-2,7H2;5-7H,1-4H2;1-2H;2H,1H3;3*1H4;1H/t15-;;;;;;5-;;;;;;/m0.....0....../s1
• InChIKey: KBMYGHWGHLPUHI-MDSDQYIOSA-N
• XLogP: 11.45
• TPSA: 550.25 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 44
• Rotatable Bonds: 19
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1807.25
LogP ≤ 5	11.45
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-cyclopropylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopropylimidazol-4-amine;1-(1-cyclopropylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclopropylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclopropyl-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-cyclopropylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopropylimidazol-4-amine;1-(1-cyclopropylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclopropylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclopropyl-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 167603555) is 2-chloro-N-[1-(1-cyclopropylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopropylimidazol-4-amine;1-(1-cyclopropylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclopropylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclopropyl-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-cyclopropylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopropylimidazol-4-amine;1-(1-cyclopropylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclopropylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclopropyl-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-cyclopropylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopropylimidazol-4-amine;1-(1-cyclopropylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclopropylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclopropyl-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(C4CC4)cn3)cn2)c2cccn2n1.Nc1cn(-c2cn(C3CC3)cn2)cn1.Nc1cn(C2CC2)cn1.O=[N+]([O-])c1cn(-c2cn(C3CC3)cn2)cn1.O=[N+]([O-])c1cn([N+](=O)[O-])cn1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Nc2cn(-c3cn(C4CC4)cn3)cn2)c2cccn2n1.[H][H].

What is the InChIKey of 2-chloro-N-[1-(1-cyclopropylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopropylimidazol-4-amine;1-(1-cyclopropylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclopropylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclopropyl-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 KBMYGHWGHLPUHI-MDSDQYIOSA-N. The full InChI is InChI=1S/C20H23N9O.C15H13ClN8.C9H9N5O2.C9H11N5.C6H3Cl2N3.C6H9N3.C5H11NO.C3H2N4O4.CH4O.3CH4.H2/c30-11-15-3-1-7-28(15)20-24-19(16-4-2-8-29(16)25-20)23-17-9-27(12-21-17)18-10-26(13-22-18)14-5-6-14;16-15-20-14(11-2-1-5-24(11)21-15)19-12-6-23(8-17-12)13-7-22(9-18-13)10-3-4-10;15-14(16)9-4-13(6-11-9)8-3-12(5-10-8)7-1-2-7;10-8-3-14(5-11-8)9-4-13(6-12-9)7-1-2-7;7-5-4-2-1-3-11(4)10-6(8)9-5;7-6-3-9(4-8-6)5-1-2-5;7-4-5-2-1-3-6-5;8-6(9)3-1-5(2-4-3)7(10)11;1-2;;;;/h2,4,8-10,12-15,30H,1,3,5-7,11H2,(H,23,24,25);1-2,5-10H,3-4H2,(H,19,20,21);3-7H,1-2H2;3-7H,1-2,10H2;1-3H;3-5H,1-2,7H2;5-7H,1-4H2;1-2H;2H,1H3;3*1H4;1H/t15-;;;;;;5-;;;;;;/m0.....0....../s1.

What are the key properties of 2-chloro-N-[1-(1-cyclopropylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopropylimidazol-4-amine;1-(1-cyclopropylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclopropylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclopropyl-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-cyclopropylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopropylimidazol-4-amine;1-(1-cyclopropylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclopropylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclopropyl-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 1807.25 g/mol, XLogP of 11.45, 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-cyclopropylimidazol-4-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopropylimidazol-4-amine;1-(1-cyclopropylimidazol-4-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1-cyclopropylimidazol-4-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-cyclopropyl-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 167603555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).