4-bromo-1-tert-butylpyrrolo[1,2-d][1,2,4]triazine;4-tert-butyl-1-(5-methylpyrazol-2-id-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrrolo[1,2-c]pyrimidine;bis(methyl(diphenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+)

C96H114BBrF3N17O3OsP2+2 — CID 161254283

About 4-bromo-1-tert-butylpyrrolo[1,2-d][1,2,4]triazine;4-tert-butyl-1-(5-methylpyrazol-2-id-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrrolo[1,2-c]pyrimidine;bis(methyl(diphenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+)

4-bromo-1-tert-butylpyrrolo[1,2-d][1,2,4]triazine;4-tert-butyl-1-(5-methylpyrazol-2-id-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrrolo[1,2-c]pyrimidine;bis(methyl(diphenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+) (PubChem CID 161254283) has the molecular formula C96H114BBrF3N17O3OsP2+2 and a molecular weight of 1953.97 g/mol. Its IUPAC name is 4-bromo-1-tert-butylpyrrolo[1,2-d][1,2,4]triazine;4-tert-butyl-1-(5-methylpyrazol-2-id-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrrolo[1,2-c]pyrimidine;bis(methyl(diphenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+).

Molecular Properties

• Compound Name: 4-bromo-1-tert-butylpyrrolo[1,2-d][1,2,4]triazine;4-tert-butyl-1-(5-methylpyrazol-2-id-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrrolo[1,2-c]pyrimidine;bis(methyl(diphenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+)
• PubChem CID: 161254283
• Molecular Formula: C96H114BBrF3N17O3OsP2+2
• Molecular Weight: 1953.97 g/mol
• Exact Mass: 1953.76
• IUPAC Name: 4-bromo-1-tert-butylpyrrolo[1,2-d][1,2,4]triazine;4-tert-butyl-1-(5-methylpyrazol-2-id-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrrolo[1,2-c]pyrimidine;bis(methyl(diphenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+)
• SMILES: CC(C)(C)c1cnc(-c2cc(C(F)(F)F)n[n-]2)n2cccc12.CC(C)(C)c1nnc(Br)n2cccc12.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.Cc1cc(-c2ncc(C(C)(C)C)c3cccn23)[n-]n1.Cc1cc(-c2ncc(C(C)(C)C)c3cccn23)n[nH]1.Cc1cc(B2OC(C)(C)C(C)(C)O2)n(C2CCCCO2)n1.[Os+2]
• InChI: InChI=1S/C15H25BN2O3.C15H14F3N4.C15H18N4.C15H17N4.2C13H13P.C10H12BrN3.Os/c1-11-10-12(16-20-14(2,3)15(4,5)21-16)18(17-11)13-8-6-7-9-19-13;1-14(2,3)9-8-19-13(22-6-4-5-11(9)22)10-7-12(21-20-10)15(16,17)18;2*1-10-8-12(18-17-10)14-16-9-11(15(2,3)4)13-6-5-7-19(13)14;2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-10(2,3)8-7-5-4-6-14(7)9(11)13-12-8;/h10,13H,6-9H2,1-5H3;4-8H,1-3H3;5-9H,1-4H3,(H,17,18);5-9H,1-4H3;2*2-11H,1H3;4-6H,1-3H3;/q;-1;;-1;;;;+2/p+2
• InChIKey: CLYHZSNTNNSNQH-UHFFFAOYSA-P
• XLogP: 19.90
• TPSA: 210.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1953.97
LogP ≤ 5	19.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-tert-butylpyrrolo[1,2-d][1,2,4]triazine;4-tert-butyl-1-(5-methylpyrazol-2-id-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrrolo[1,2-c]pyrimidine;bis(methyl(diphenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+)?

The IUPAC name of 4-bromo-1-tert-butylpyrrolo[1,2-d][1,2,4]triazine;4-tert-butyl-1-(5-methylpyrazol-2-id-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrrolo[1,2-c]pyrimidine;bis(methyl(diphenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+) (CID 161254283) is 4-bromo-1-tert-butylpyrrolo[1,2-d][1,2,4]triazine;4-tert-butyl-1-(5-methylpyrazol-2-id-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrrolo[1,2-c]pyrimidine;bis(methyl(diphenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+).

What is the SMILES notation for 4-bromo-1-tert-butylpyrrolo[1,2-d][1,2,4]triazine;4-tert-butyl-1-(5-methylpyrazol-2-id-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrrolo[1,2-c]pyrimidine;bis(methyl(diphenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+)?

The canonical SMILES for 4-bromo-1-tert-butylpyrrolo[1,2-d][1,2,4]triazine;4-tert-butyl-1-(5-methylpyrazol-2-id-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrrolo[1,2-c]pyrimidine;bis(methyl(diphenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+) is CC(C)(C)c1cnc(-c2cc(C(F)(F)F)n[n-]2)n2cccc12.CC(C)(C)c1nnc(Br)n2cccc12.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.Cc1cc(-c2ncc(C(C)(C)C)c3cccn23)[n-]n1.Cc1cc(-c2ncc(C(C)(C)C)c3cccn23)n[nH]1.Cc1cc(B2OC(C)(C)C(C)(C)O2)n(C2CCCCO2)n1.[Os+2].

What is the InChIKey of 4-bromo-1-tert-butylpyrrolo[1,2-d][1,2,4]triazine;4-tert-butyl-1-(5-methylpyrazol-2-id-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrrolo[1,2-c]pyrimidine;bis(methyl(diphenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+)?

The InChIKey is CLYHZSNTNNSNQH-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H25BN2O3.C15H14F3N4.C15H18N4.C15H17N4.2C13H13P.C10H12BrN3.Os/c1-11-10-12(16-20-14(2,3)15(4,5)21-16)18(17-11)13-8-6-7-9-19-13;1-14(2,3)9-8-19-13(22-6-4-5-11(9)22)10-7-12(21-20-10)15(16,17)18;2*1-10-8-12(18-17-10)14-16-9-11(15(2,3)4)13-6-5-7-19(13)14;2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-10(2,3)8-7-5-4-6-14(7)9(11)13-12-8;/h10,13H,6-9H2,1-5H3;4-8H,1-3H3;5-9H,1-4H3,(H,17,18);5-9H,1-4H3;2*2-11H,1H3;4-6H,1-3H3;/q;-1;;-1;;;;+2/p+2.

What are the key properties of 4-bromo-1-tert-butylpyrrolo[1,2-d][1,2,4]triazine;4-tert-butyl-1-(5-methylpyrazol-2-id-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrrolo[1,2-c]pyrimidine;bis(methyl(diphenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+)?

4-bromo-1-tert-butylpyrrolo[1,2-d][1,2,4]triazine;4-tert-butyl-1-(5-methylpyrazol-2-id-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrrolo[1,2-c]pyrimidine;bis(methyl(diphenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+) has a molecular weight of 1953.97 g/mol, XLogP of 19.90, 9 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-1-tert-butylpyrrolo[1,2-d][1,2,4]triazine;4-tert-butyl-1-(5-methylpyrazol-2-id-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-c]pyrimidine;4-tert-butyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrrolo[1,2-c]pyrimidine;bis(methyl(diphenyl)phosphanium);3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;osmium(2+) is sourced from PubChem (CID 161254283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).