1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol

C8H10N4O — CID 90397339

IUPAC1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
SMILESCC(O)c1ccc2c(N)ncnn12
InChIInChI=1S/C8H10N4O/c1-5(13)6-2-3-7-8(9)10-4-11-12(6)7/h2-5,13H,1H3,(H2,9,10,11)
InChIKeyUWIPCCFHIWFQPE-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.36
Rot. Bonds1

About 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol

1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol (PubChem CID 90397339) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol.

Molecular Properties

Compound Name1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
PubChem CID90397339
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
SMILESCC(O)c1ccc2c(N)ncnn12
InChIInChI=1S/C8H10N4O/c1-5(13)6-2-3-7-8(9)10-4-11-12(6)7/h2-5,13H,1H3,(H2,9,10,11)
InChIKeyUWIPCCFHIWFQPE-UHFFFAOYSA-N
XLogP0.36
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-chloroethanol
CID 143458596
(1S)-1-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
CID 124674969
7-iodopyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 90176299
ethane;7-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 145368095
3-[(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-hydroxymethyl]pyrrolidine-1-carboxylic acid
CID 123228089
7-[1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 134608174
[(1S,2S)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-methoxy-1,4-bis(propan-2-yloxycarbonyloxy)butan-2-yl] propan-2-yl carbonate
CID 176922661
2-amino-1-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
CID 83883671
2-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-1-amine
CID 83882828
5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-1-phenylmethoxyhexane-2,5-diol
CID 126719126
7-(4-methoxy-2-methylpentan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 143861213
[(3S)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-hydroxy-2-methoxybutyl] 2-methylpropanoate
CID 170613971

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol?
The IUPAC name of 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol (CID 90397339) is 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol.
What is the SMILES notation for 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol?
The canonical SMILES for 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol is CC(O)c1ccc2c(N)ncnn12.
What is the InChIKey of 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol?
The InChIKey is UWIPCCFHIWFQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-5(13)6-2-3-7-8(9)10-4-11-12(6)7/h2-5,13H,1H3,(H2,9,10,11).
What are the key properties of 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol?
1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol has a molecular weight of 178.19 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol is sourced from PubChem (CID 90397339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).