(1S)-1-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol

C8H9BrN4O — CID 124674969

IUPAC(1S)-1-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
SMILESC[C@H](O)c1cc(Br)c2c(N)ncnn12
InChIInChI=1S/C8H9BrN4O/c1-4(14)6-2-5(9)7-8(10)11-3-12-13(6)7/h2-4,14H,1H3,(H2,10,11,12)/t4-/m0/s1
InChIKeyRINFZLFEGDBDMD-BYPYZUCNSA-N
MW257.09 g/mol
LogP1.13
Rot. Bonds1

About (1S)-1-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol

(1S)-1-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol (PubChem CID 124674969) has the molecular formula C8H9BrN4O and a molecular weight of 257.09 g/mol. Its IUPAC name is (1S)-1-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
PubChem CID124674969
Molecular FormulaC8H9BrN4O
Molecular Weight257.09 g/mol
Exact Mass256.00
IUPAC Name(1S)-1-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
SMILESC[C@H](O)c1cc(Br)c2c(N)ncnn12
InChIInChI=1S/C8H9BrN4O/c1-4(14)6-2-5(9)7-8(10)11-3-12-13(6)7/h2-4,14H,1H3,(H2,10,11,12)/t4-/m0/s1
InChIKeyRINFZLFEGDBDMD-BYPYZUCNSA-N
XLogP1.13
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol?
The IUPAC name of (1S)-1-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol (CID 124674969) is (1S)-1-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol.
What is the SMILES notation for (1S)-1-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol?
The canonical SMILES for (1S)-1-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol is C[C@H](O)c1cc(Br)c2c(N)ncnn12.
What is the InChIKey of (1S)-1-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol?
The InChIKey is RINFZLFEGDBDMD-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H9BrN4O/c1-4(14)6-2-5(9)7-8(10)11-3-12-13(6)7/h2-4,14H,1H3,(H2,10,11,12)/t4-/m0/s1.
What are the key properties of (1S)-1-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol?
(1S)-1-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol has a molecular weight of 257.09 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol is sourced from PubChem (CID 124674969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).