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

C11H14N4O2 — CID 69262363

IUPAC[(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol
SMILESNc1ncnn2c([C@H]3CC[C@@H](CO)O3)ccc12
InChIInChI=1S/C11H14N4O2/c12-11-9-3-2-8(15(9)14-6-13-11)10-4-1-7(5-16)17-10/h2-3,6-7,10,16H,1,4-5H2,(H2,12,13,14)/t7-,10+/m0/s1
InChIKeyNMIMSVJJBUJREU-OIBJUYFYSA-N
MW234.26 g/mol
LogP0.52
Rot. Bonds2

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

[(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol (PubChem CID 69262363) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is [(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol
PubChem CID69262363
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name[(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol
SMILESNc1ncnn2c([C@H]3CC[C@@H](CO)O3)ccc12
InChIInChI=1S/C11H14N4O2/c12-11-9-3-2-8(15(9)14-6-13-11)10-4-1-7(5-16)17-10/h2-3,6-7,10,16H,1,4-5H2,(H2,12,13,14)/t7-,10+/m0/s1
InChIKeyNMIMSVJJBUJREU-OIBJUYFYSA-N
XLogP0.52
TPSA85.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol (CID 69262363) is [(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol is Nc1ncnn2c([C@H]3CC[C@@H](CO)O3)ccc12.
What is the InChIKey of [(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol?
The InChIKey is NMIMSVJJBUJREU-OIBJUYFYSA-N. The full InChI is InChI=1S/C11H14N4O2/c12-11-9-3-2-8(15(9)14-6-13-11)10-4-1-7(5-16)17-10/h2-3,6-7,10,16H,1,4-5H2,(H2,12,13,14)/t7-,10+/m0/s1.
What are the key properties of [(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol?
[(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol has a molecular weight of 234.26 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 69262363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).