[3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-dihydropyrrol-1-yl]-[(2-methylpropan-2-yl)oxy]methanol

C15H21N5O2 — CID 167100608

About [3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-dihydropyrrol-1-yl]-[(2-methylpropan-2-yl)oxy]methanol

[3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-dihydropyrrol-1-yl]-[(2-methylpropan-2-yl)oxy]methanol (PubChem CID 167100608) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is [3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-dihydropyrrol-1-yl]-[(2-methylpropan-2-yl)oxy]methanol.

Molecular Properties

• Compound Name: [3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-dihydropyrrol-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
• PubChem CID: 167100608
• Molecular Formula: C15H21N5O2
• Molecular Weight: 303.37 g/mol
• Exact Mass: 303.17
• IUPAC Name: [3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-dihydropyrrol-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
• SMILES: CC(C)(C)OC(O)N1CC=C(c2ccc3c(N)ncnn23)C1
• InChI: InChI=1S/C15H21N5O2/c1-15(2,3)22-14(21)19-7-6-10(8-19)11-4-5-12-13(16)17-9-18-20(11)12/h4-6,9,14,21H,7-8H2,1-3H3,(H2,16,17,18)
• InChIKey: UPVUKZHRYWDJDB-UHFFFAOYSA-N
• XLogP: 1.10
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.37
LogP ≤ 5	1.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-dihydropyrrol-1-yl]-[(2-methylpropan-2-yl)oxy]methanol?

The IUPAC name of [3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-dihydropyrrol-1-yl]-[(2-methylpropan-2-yl)oxy]methanol (CID 167100608) is [3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-dihydropyrrol-1-yl]-[(2-methylpropan-2-yl)oxy]methanol.

What is the SMILES notation for [3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-dihydropyrrol-1-yl]-[(2-methylpropan-2-yl)oxy]methanol?

The canonical SMILES for [3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-dihydropyrrol-1-yl]-[(2-methylpropan-2-yl)oxy]methanol is CC(C)(C)OC(O)N1CC=C(c2ccc3c(N)ncnn23)C1.

What is the InChIKey of [3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-dihydropyrrol-1-yl]-[(2-methylpropan-2-yl)oxy]methanol?

The InChIKey is UPVUKZHRYWDJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-15(2,3)22-14(21)19-7-6-10(8-19)11-4-5-12-13(16)17-9-18-20(11)12/h4-6,9,14,21H,7-8H2,1-3H3,(H2,16,17,18).

What are the key properties of [3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-dihydropyrrol-1-yl]-[(2-methylpropan-2-yl)oxy]methanol?

[3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-dihydropyrrol-1-yl]-[(2-methylpropan-2-yl)oxy]methanol has a molecular weight of 303.37 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-dihydropyrrol-1-yl]-[(2-methylpropan-2-yl)oxy]methanol is sourced from PubChem (CID 167100608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).