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

C9H12N4O2 — CID 83883671

IUPAC2-amino-1-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
SMILESCOc1ncnn2c(C(O)CN)ccc12
InChIInChI=1S/C9H12N4O2/c1-15-9-7-3-2-6(8(14)4-10)13(7)12-5-11-9/h2-3,5,8,14H,4,10H2,1H3
InChIKeyYBKHMPAYZOSMJB-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.27
Rot. Bonds3

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

2-amino-1-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol (PubChem CID 83883671) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-amino-1-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
PubChem CID83883671
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2-amino-1-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
SMILESCOc1ncnn2c(C(O)CN)ccc12
InChIInChI=1S/C9H12N4O2/c1-15-9-7-3-2-6(8(14)4-10)13(7)12-5-11-9/h2-3,5,8,14H,4,10H2,1H3
InChIKeyYBKHMPAYZOSMJB-UHFFFAOYSA-N
XLogP-0.27
TPSA85.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol?
The IUPAC name of 2-amino-1-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol (CID 83883671) is 2-amino-1-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol.
What is the SMILES notation for 2-amino-1-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol?
The canonical SMILES for 2-amino-1-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol is COc1ncnn2c(C(O)CN)ccc12.
What is the InChIKey of 2-amino-1-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol?
The InChIKey is YBKHMPAYZOSMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-15-9-7-3-2-6(8(14)4-10)13(7)12-5-11-9/h2-3,5,8,14H,4,10H2,1H3.
What are the key properties of 2-amino-1-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol?
2-amino-1-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol has a molecular weight of 208.22 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol is sourced from PubChem (CID 83883671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).