2-aminoethanol;4-(7-tert-butyl-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)aniline;1-[4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2-hydroxyethyl)urea;methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C87H132BN21O9 — CID 158460754

About 2-aminoethanol;4-(7-tert-butyl-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)aniline;1-[4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2-hydroxyethyl)urea;methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

2-aminoethanol;4-(7-tert-butyl-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)aniline;1-[4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2-hydroxyethyl)urea;methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (PubChem CID 158460754) has the molecular formula C87H132BN21O9 and a molecular weight of 1626.96 g/mol. Its IUPAC name is 2-aminoethanol;4-(7-tert-butyl-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)aniline;1-[4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2-hydroxyethyl)urea;methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

Molecular Properties

• Compound Name: 2-aminoethanol;4-(7-tert-butyl-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)aniline;1-[4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2-hydroxyethyl)urea;methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• PubChem CID: 158460754
• Molecular Formula: C87H132BN21O9
• Molecular Weight: 1626.96 g/mol
• Exact Mass: 1626.06
• IUPAC Name: 2-aminoethanol;4-(7-tert-butyl-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)aniline;1-[4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2-hydroxyethyl)urea;methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• SMILES: C.C.C.C.CC(C)(C)c1ccc2c(N3CCOCC3)nc(-c3ccc(N)cc3)nn12.CC(C)(C)c1ccc2c(N3CCOCC3)nc(-c3ccc(NC(=O)NCCO)cc3)nn12.CC1(C)OB(c2ccc(N)cc2)OC1(C)C.Cc1nc(N2CCOCC2)c2ccc(C(C)(C)C)n2n1.Cc1nc(N2CCOCC2)c2cccn2n1.NCCO
• InChI: InChI=1S/C23H30N6O3.C20H25N5O.C15H22N4O.C12H18BNO2.C11H14N4O.C2H7NO.4CH4/c1-23(2,3)19-9-8-18-21(28-11-14-32-15-12-28)26-20(27-29(18)19)16-4-6-17(7-5-16)25-22(31)24-10-13-30;1-20(2,3)17-9-8-16-19(24-10-12-26-13-11-24)22-18(23-25(16)17)14-4-6-15(21)7-5-14;1-11-16-14(18-7-9-20-10-8-18)12-5-6-13(15(2,3)4)19(12)17-11;1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9;1-9-12-11(14-5-7-16-8-6-14)10-3-2-4-15(10)13-9;3-1-2-4;;;;/h4-9,30H,10-15H2,1-3H3,(H2,24,25,31);4-9H,10-13,21H2,1-3H3;5-6H,7-10H2,1-4H3;5-8H,14H2,1-4H3;2-4H,5-8H2,1H3;4H,1-3H2;4*1H4
• InChIKey: HFDHTOCLBVIDLN-UHFFFAOYSA-N
• XLogP: 11.85
• TPSA: 348.75 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 11
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1626.96
LogP ≤ 5	11.85
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;4-(7-tert-butyl-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)aniline;1-[4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2-hydroxyethyl)urea;methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The IUPAC name of 2-aminoethanol;4-(7-tert-butyl-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)aniline;1-[4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2-hydroxyethyl)urea;methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CID 158460754) is 2-aminoethanol;4-(7-tert-butyl-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)aniline;1-[4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2-hydroxyethyl)urea;methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

What is the SMILES notation for 2-aminoethanol;4-(7-tert-butyl-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)aniline;1-[4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2-hydroxyethyl)urea;methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The canonical SMILES for 2-aminoethanol;4-(7-tert-butyl-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)aniline;1-[4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2-hydroxyethyl)urea;methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is C.C.C.C.CC(C)(C)c1ccc2c(N3CCOCC3)nc(-c3ccc(N)cc3)nn12.CC(C)(C)c1ccc2c(N3CCOCC3)nc(-c3ccc(NC(=O)NCCO)cc3)nn12.CC1(C)OB(c2ccc(N)cc2)OC1(C)C.Cc1nc(N2CCOCC2)c2ccc(C(C)(C)C)n2n1.Cc1nc(N2CCOCC2)c2cccn2n1.NCCO.

What is the InChIKey of 2-aminoethanol;4-(7-tert-butyl-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)aniline;1-[4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2-hydroxyethyl)urea;methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The InChIKey is HFDHTOCLBVIDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3.C20H25N5O.C15H22N4O.C12H18BNO2.C11H14N4O.C2H7NO.4CH4/c1-23(2,3)19-9-8-18-21(28-11-14-32-15-12-28)26-20(27-29(18)19)16-4-6-17(7-5-16)25-22(31)24-10-13-30;1-20(2,3)17-9-8-16-19(24-10-12-26-13-11-24)22-18(23-25(16)17)14-4-6-15(21)7-5-14;1-11-16-14(18-7-9-20-10-8-18)12-5-6-13(15(2,3)4)19(12)17-11;1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9;1-9-12-11(14-5-7-16-8-6-14)10-3-2-4-15(10)13-9;3-1-2-4;;;;/h4-9,30H,10-15H2,1-3H3,(H2,24,25,31);4-9H,10-13,21H2,1-3H3;5-6H,7-10H2,1-4H3;5-8H,14H2,1-4H3;2-4H,5-8H2,1H3;4H,1-3H2;4*1H4.

What are the key properties of 2-aminoethanol;4-(7-tert-butyl-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)aniline;1-[4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2-hydroxyethyl)urea;methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

2-aminoethanol;4-(7-tert-butyl-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)aniline;1-[4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2-hydroxyethyl)urea;methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline has a molecular weight of 1626.96 g/mol, XLogP of 11.85, 11 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoethanol;4-(7-tert-butyl-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)aniline;1-[4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2-hydroxyethyl)urea;methane;4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is sourced from PubChem (CID 158460754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).