4-bromo-2-methylpyridine;2-chloro-N-[1-(2-methyl-4-pyridinyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;methane;2-methyl-4-(4-nitroimidazol-1-yl)pyridine;1-(2-methyl-4-pyridinyl)imidazol-4-amine;[(2S)-1-[4-[[1-(2-methyl-4-pyridinyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;molecular hydrogen;5-nitro-1H-imidazole;[(2S)-pyrrolidin-2-yl]methanol

C74H81BrCl3N31O6 — CID 167642631

About 4-bromo-2-methylpyridine;2-chloro-N-[1-(2-methyl-4-pyridinyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;methane;2-methyl-4-(4-nitroimidazol-1-yl)pyridine;1-(2-methyl-4-pyridinyl)imidazol-4-amine;[(2S)-1-[4-[[1-(2-methyl-4-pyridinyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;molecular hydrogen;5-nitro-1H-imidazole;[(2S)-pyrrolidin-2-yl]methanol

4-bromo-2-methylpyridine;2-chloro-N-[1-(2-methyl-4-pyridinyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;methane;2-methyl-4-(4-nitroimidazol-1-yl)pyridine;1-(2-methyl-4-pyridinyl)imidazol-4-amine;[(2S)-1-[4-[[1-(2-methyl-4-pyridinyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;molecular hydrogen;5-nitro-1H-imidazole;[(2S)-pyrrolidin-2-yl]methanol (PubChem CID 167642631) has the molecular formula C74H81BrCl3N31O6 and a molecular weight of 1686.94 g/mol. Its IUPAC name is 4-bromo-2-methylpyridine;2-chloro-N-[1-(2-methyl-4-pyridinyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;methane;2-methyl-4-(4-nitroimidazol-1-yl)pyridine;1-(2-methyl-4-pyridinyl)imidazol-4-amine;[(2S)-1-[4-[[1-(2-methyl-4-pyridinyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;molecular hydrogen;5-nitro-1H-imidazole;[(2S)-pyrrolidin-2-yl]methanol.

Molecular Properties

• Compound Name: 4-bromo-2-methylpyridine;2-chloro-N-[1-(2-methyl-4-pyridinyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;methane;2-methyl-4-(4-nitroimidazol-1-yl)pyridine;1-(2-methyl-4-pyridinyl)imidazol-4-amine;[(2S)-1-[4-[[1-(2-methyl-4-pyridinyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;molecular hydrogen;5-nitro-1H-imidazole;[(2S)-pyrrolidin-2-yl]methanol
• PubChem CID: 167642631
• Molecular Formula: C74H81BrCl3N31O6
• Molecular Weight: 1686.94 g/mol
• Exact Mass: 1683.52
• IUPAC Name: 4-bromo-2-methylpyridine;2-chloro-N-[1-(2-methyl-4-pyridinyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;methane;2-methyl-4-(4-nitroimidazol-1-yl)pyridine;1-(2-methyl-4-pyridinyl)imidazol-4-amine;[(2S)-1-[4-[[1-(2-methyl-4-pyridinyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;molecular hydrogen;5-nitro-1H-imidazole;[(2S)-pyrrolidin-2-yl]methanol
• SMILES: C.Cc1cc(-n2cnc(N)c2)ccn1.Cc1cc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)ccn1.Cc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nn4cccc34)c2)ccn1.Cc1cc(-n2cnc([N+](=O)[O-])c2)ccn1.Cc1cc(Br)ccn1.Clc1nc(Cl)c2cccn2n1.O=[N+]([O-])c1cnc[nH]1.OC[C@@H]1CCCN1.[H][H]
• InChI: InChI=1S/C20H22N8O.C15H12ClN7.C9H8N4O2.C9H10N4.C6H6BrN.C6H3Cl2N3.C5H11NO.C3H3N3O2.CH4.H2/c1-14-10-15(6-7-21-14)26-11-18(22-13-26)23-19-17-5-3-9-28(17)25-20(24-19)27-8-2-4-16(27)12-29;1-10-7-11(4-5-17-10)22-8-13(18-9-22)19-14-12-3-2-6-23(12)21-15(16)20-14;1-7-4-8(2-3-10-7)12-5-9(11-6-12)13(14)15;1-7-4-8(2-3-11-7)13-5-9(10)12-6-13;1-5-4-6(7)2-3-8-5;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5;7-6(8)3-1-4-2-5-3;;/h3,5-7,9-11,13,16,29H,2,4,8,12H2,1H3,(H,23,24,25);2-9H,1H3,(H,19,20,21);2-6H,1H3;2-6H,10H2,1H3;2-4H,1H3;1-3H;5-7H,1-4H2;1-2H,(H,4,5);1H4;1H/t16-;;;;;;5-;;;/m0.....0.../s1
• InChIKey: PJPPFOPRUKGQQM-LTZIFCFASA-N
• XLogP: 13.10
• TPSA: 447.07 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 13
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1686.94
LogP ≤ 5	13.10
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methylpyridine;2-chloro-N-[1-(2-methyl-4-pyridinyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;methane;2-methyl-4-(4-nitroimidazol-1-yl)pyridine;1-(2-methyl-4-pyridinyl)imidazol-4-amine;[(2S)-1-[4-[[1-(2-methyl-4-pyridinyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;molecular hydrogen;5-nitro-1H-imidazole;[(2S)-pyrrolidin-2-yl]methanol?

The IUPAC name of 4-bromo-2-methylpyridine;2-chloro-N-[1-(2-methyl-4-pyridinyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;methane;2-methyl-4-(4-nitroimidazol-1-yl)pyridine;1-(2-methyl-4-pyridinyl)imidazol-4-amine;[(2S)-1-[4-[[1-(2-methyl-4-pyridinyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;molecular hydrogen;5-nitro-1H-imidazole;[(2S)-pyrrolidin-2-yl]methanol (CID 167642631) is 4-bromo-2-methylpyridine;2-chloro-N-[1-(2-methyl-4-pyridinyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;methane;2-methyl-4-(4-nitroimidazol-1-yl)pyridine;1-(2-methyl-4-pyridinyl)imidazol-4-amine;[(2S)-1-[4-[[1-(2-methyl-4-pyridinyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;molecular hydrogen;5-nitro-1H-imidazole;[(2S)-pyrrolidin-2-yl]methanol.

What is the SMILES notation for 4-bromo-2-methylpyridine;2-chloro-N-[1-(2-methyl-4-pyridinyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;methane;2-methyl-4-(4-nitroimidazol-1-yl)pyridine;1-(2-methyl-4-pyridinyl)imidazol-4-amine;[(2S)-1-[4-[[1-(2-methyl-4-pyridinyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;molecular hydrogen;5-nitro-1H-imidazole;[(2S)-pyrrolidin-2-yl]methanol?

The canonical SMILES for 4-bromo-2-methylpyridine;2-chloro-N-[1-(2-methyl-4-pyridinyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;methane;2-methyl-4-(4-nitroimidazol-1-yl)pyridine;1-(2-methyl-4-pyridinyl)imidazol-4-amine;[(2S)-1-[4-[[1-(2-methyl-4-pyridinyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;molecular hydrogen;5-nitro-1H-imidazole;[(2S)-pyrrolidin-2-yl]methanol is C.Cc1cc(-n2cnc(N)c2)ccn1.Cc1cc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)ccn1.Cc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nn4cccc34)c2)ccn1.Cc1cc(-n2cnc([N+](=O)[O-])c2)ccn1.Cc1cc(Br)ccn1.Clc1nc(Cl)c2cccn2n1.O=[N+]([O-])c1cnc[nH]1.OC[C@@H]1CCCN1.[H][H].

What is the InChIKey of 4-bromo-2-methylpyridine;2-chloro-N-[1-(2-methyl-4-pyridinyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;methane;2-methyl-4-(4-nitroimidazol-1-yl)pyridine;1-(2-methyl-4-pyridinyl)imidazol-4-amine;[(2S)-1-[4-[[1-(2-methyl-4-pyridinyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;molecular hydrogen;5-nitro-1H-imidazole;[(2S)-pyrrolidin-2-yl]methanol?

The InChIKey is PJPPFOPRUKGQQM-LTZIFCFASA-N. The full InChI is InChI=1S/C20H22N8O.C15H12ClN7.C9H8N4O2.C9H10N4.C6H6BrN.C6H3Cl2N3.C5H11NO.C3H3N3O2.CH4.H2/c1-14-10-15(6-7-21-14)26-11-18(22-13-26)23-19-17-5-3-9-28(17)25-20(24-19)27-8-2-4-16(27)12-29;1-10-7-11(4-5-17-10)22-8-13(18-9-22)19-14-12-3-2-6-23(12)21-15(16)20-14;1-7-4-8(2-3-10-7)12-5-9(11-6-12)13(14)15;1-7-4-8(2-3-11-7)13-5-9(10)12-6-13;1-5-4-6(7)2-3-8-5;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5;7-6(8)3-1-4-2-5-3;;/h3,5-7,9-11,13,16,29H,2,4,8,12H2,1H3,(H,23,24,25);2-9H,1H3,(H,19,20,21);2-6H,1H3;2-6H,10H2,1H3;2-4H,1H3;1-3H;5-7H,1-4H2;1-2H,(H,4,5);1H4;1H/t16-;;;;;;5-;;;/m0.....0.../s1.

What are the key properties of 4-bromo-2-methylpyridine;2-chloro-N-[1-(2-methyl-4-pyridinyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;methane;2-methyl-4-(4-nitroimidazol-1-yl)pyridine;1-(2-methyl-4-pyridinyl)imidazol-4-amine;[(2S)-1-[4-[[1-(2-methyl-4-pyridinyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;molecular hydrogen;5-nitro-1H-imidazole;[(2S)-pyrrolidin-2-yl]methanol?

4-bromo-2-methylpyridine;2-chloro-N-[1-(2-methyl-4-pyridinyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;methane;2-methyl-4-(4-nitroimidazol-1-yl)pyridine;1-(2-methyl-4-pyridinyl)imidazol-4-amine;[(2S)-1-[4-[[1-(2-methyl-4-pyridinyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;molecular hydrogen;5-nitro-1H-imidazole;[(2S)-pyrrolidin-2-yl]methanol has a molecular weight of 1686.94 g/mol, XLogP of 13.10, 13 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-methylpyridine;2-chloro-N-[1-(2-methyl-4-pyridinyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;methane;2-methyl-4-(4-nitroimidazol-1-yl)pyridine;1-(2-methyl-4-pyridinyl)imidazol-4-amine;[(2S)-1-[4-[[1-(2-methyl-4-pyridinyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;molecular hydrogen;5-nitro-1H-imidazole;[(2S)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 167642631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).