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

C8H9ClN4O — CID 112714004

IUPAC2-amino-2-(4-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
SMILESNC(CO)c1ccc2c(Cl)ncnn12
InChIInChI=1S/C8H9ClN4O/c9-8-7-2-1-6(5(10)3-14)13(7)12-4-11-8/h1-2,4-5,14H,3,10H2
InChIKeyWDXHENKXONVZHP-UHFFFAOYSA-N
MW212.64 g/mol
LogP0.37
Rot. Bonds2

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

2-amino-2-(4-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol (PubChem CID 112714004) has the molecular formula C8H9ClN4O and a molecular weight of 212.64 g/mol. Its IUPAC name is 2-amino-2-(4-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(4-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
PubChem CID112714004
Molecular FormulaC8H9ClN4O
Molecular Weight212.64 g/mol
Exact Mass212.05
IUPAC Name2-amino-2-(4-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
SMILESNC(CO)c1ccc2c(Cl)ncnn12
InChIInChI=1S/C8H9ClN4O/c9-8-7-2-1-6(5(10)3-14)13(7)12-4-11-8/h1-2,4-5,14H,3,10H2
InChIKeyWDXHENKXONVZHP-UHFFFAOYSA-N
XLogP0.37
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol?
The IUPAC name of 2-amino-2-(4-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol (CID 112714004) is 2-amino-2-(4-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol.
What is the SMILES notation for 2-amino-2-(4-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol?
The canonical SMILES for 2-amino-2-(4-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol is NC(CO)c1ccc2c(Cl)ncnn12.
What is the InChIKey of 2-amino-2-(4-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol?
The InChIKey is WDXHENKXONVZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O/c9-8-7-2-1-6(5(10)3-14)13(7)12-4-11-8/h1-2,4-5,14H,3,10H2.
What are the key properties of 2-amino-2-(4-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol?
2-amino-2-(4-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol has a molecular weight of 212.64 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol is sourced from PubChem (CID 112714004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).