methane;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine

C41H56BF3N12O4 — CID 161499472

About methane;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine

methane;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 161499472) has the molecular formula C41H56BF3N12O4 and a molecular weight of 848.78 g/mol. Its IUPAC name is methane;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: methane;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 161499472
• Molecular Formula: C41H56BF3N12O4
• Molecular Weight: 848.78 g/mol
• Exact Mass: 848.46
• IUPAC Name: methane;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
• SMILES: C.C.CC1(C)OB(c2cnc(N)cc2C(F)(F)F)OC1(C)C.Cc1cc(N)ncc1-c1nc(N2CCOCC2)c2cccn2n1.Cc1nc(N2CCOCC2)c2cccn2n1
• InChI: InChI=1S/C16H18N6O.C12H16BF3N2O2.C11H14N4O.2CH4/c1-11-9-14(17)18-10-12(11)15-19-16(21-5-7-23-8-6-21)13-3-2-4-22(13)20-15;1-10(2)11(3,4)20-13(19-10)8-6-18-9(17)5-7(8)12(14,15)16;1-9-12-11(14-5-7-16-8-6-14)10-3-2-4-15(10)13-9;;/h2-4,9-10H,5-8H2,1H3,(H2,17,18);5-6H,1-4H3,(H2,17,18);2-4H,5-8H2,1H3;2*1H4
• InChIKey: WGQLBDIQKRCGBH-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 181.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 4
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	848.78
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?

The IUPAC name of methane;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 161499472) is methane;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for methane;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for methane;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine is C.C.CC1(C)OB(c2cnc(N)cc2C(F)(F)F)OC1(C)C.Cc1cc(N)ncc1-c1nc(N2CCOCC2)c2cccn2n1.Cc1nc(N2CCOCC2)c2cccn2n1.

What is the InChIKey of methane;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?

The InChIKey is WGQLBDIQKRCGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O.C12H16BF3N2O2.C11H14N4O.2CH4/c1-11-9-14(17)18-10-12(11)15-19-16(21-5-7-23-8-6-21)13-3-2-4-22(13)20-15;1-10(2)11(3,4)20-13(19-10)8-6-18-9(17)5-7(8)12(14,15)16;1-9-12-11(14-5-7-16-8-6-14)10-3-2-4-15(10)13-9;;/h2-4,9-10H,5-8H2,1H3,(H2,17,18);5-6H,1-4H3,(H2,17,18);2-4H,5-8H2,1H3;2*1H4.

What are the key properties of methane;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?

methane;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 848.78 g/mol, XLogP of 5.65, 4 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for methane;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 161499472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).