[5-(2,4-diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol

C11H15N5O2 — CID 78042214

IUPAC[5-(2,4-diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol
SMILESNc1nc(N)c2ccc(C3CCC(CO)O3)n2n1
InChIInChI=1S/C11H15N5O2/c12-10-8-3-2-7(16(8)15-11(13)14-10)9-4-1-6(5-17)18-9/h2-3,6,9,17H,1,4-5H2,(H4,12,13,14,15)
InChIKeyCDWZDPLMCIBGPG-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.11
Rot. Bonds2

About [5-(2,4-diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol

[5-(2,4-diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol (PubChem CID 78042214) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is [5-(2,4-diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-(2,4-diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol
PubChem CID78042214
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name[5-(2,4-diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol
SMILESNc1nc(N)c2ccc(C3CCC(CO)O3)n2n1
InChIInChI=1S/C11H15N5O2/c12-10-8-3-2-7(16(8)15-11(13)14-10)9-4-1-6(5-17)18-9/h2-3,6,9,17H,1,4-5H2,(H4,12,13,14,15)
InChIKeyCDWZDPLMCIBGPG-UHFFFAOYSA-N
XLogP0.11
TPSA111.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S,3R,4R,5S)-5-(2,4-diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methanol
CID 59185474
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol;formonitrile;2-methylbutan-2-ol;bis(2-methylbutan-2-yl hydrogen carbonate);yttrium
CID 169174180
[(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl acetate
CID 166531010
(2R,3S,5R)-5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 130373586
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 142386433
ethane;formonitrile;[5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol;prop-1-en-2-ol
CID 168915051
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl cyclopentyl carbonate
CID 172567768
N'-[7-[5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N,N-dimethylmethanimidamide;propane-2,2-diol
CID 172567830
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl benzoate;ethane
CID 169174536
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl ethyl carbonate;propane-1,1-diol
CID 169174248
formonitrile;N-[7-[5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]benzamide
CID 166531570
ethane;7-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 145368104

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol?
The IUPAC name of [5-(2,4-diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol (CID 78042214) is [5-(2,4-diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [5-(2,4-diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol?
The canonical SMILES for [5-(2,4-diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol is Nc1nc(N)c2ccc(C3CCC(CO)O3)n2n1.
What is the InChIKey of [5-(2,4-diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol?
The InChIKey is CDWZDPLMCIBGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c12-10-8-3-2-7(16(8)15-11(13)14-10)9-4-1-6(5-17)18-9/h2-3,6,9,17H,1,4-5H2,(H4,12,13,14,15).
What are the key properties of [5-(2,4-diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol?
[5-(2,4-diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol has a molecular weight of 249.27 g/mol, XLogP of 0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 78042214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).