5-bromo-7-[(E)-2-ethoxyethenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C10H11BrN4O — CID 177177894

IUPAC5-bromo-7-[(E)-2-ethoxyethenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCCO/C=C/c1cc(Br)c2c(N)ncnn12
InChIInChI=1S/C10H11BrN4O/c1-2-16-4-3-7-5-8(11)9-10(12)13-6-14-15(7)9/h3-6H,2H2,1H3,(H2,12,13,14)/b4-3+
InChIKeyUZGVGXXEHHPSAT-ONEGZZNKSA-N
MW283.13 g/mol
LogP2.08
Rot. Bonds3

About 5-bromo-7-[(E)-2-ethoxyethenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

5-bromo-7-[(E)-2-ethoxyethenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 177177894) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is 5-bromo-7-[(E)-2-ethoxyethenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-bromo-7-[(E)-2-ethoxyethenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID177177894
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name5-bromo-7-[(E)-2-ethoxyethenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCCO/C=C/c1cc(Br)c2c(N)ncnn12
InChIInChI=1S/C10H11BrN4O/c1-2-16-4-3-7-5-8(11)9-10(12)13-6-14-15(7)9/h3-6H,2H2,1H3,(H2,12,13,14)/b4-3+
InChIKeyUZGVGXXEHHPSAT-ONEGZZNKSA-N
XLogP2.08
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-[(E)-2-ethoxyethenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-bromo-7-[(E)-2-ethoxyethenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 177177894) is 5-bromo-7-[(E)-2-ethoxyethenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-bromo-7-[(E)-2-ethoxyethenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-bromo-7-[(E)-2-ethoxyethenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is CCO/C=C/c1cc(Br)c2c(N)ncnn12.
What is the InChIKey of 5-bromo-7-[(E)-2-ethoxyethenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is UZGVGXXEHHPSAT-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H11BrN4O/c1-2-16-4-3-7-5-8(11)9-10(12)13-6-14-15(7)9/h3-6H,2H2,1H3,(H2,12,13,14)/b4-3+.
What are the key properties of 5-bromo-7-[(E)-2-ethoxyethenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-bromo-7-[(E)-2-ethoxyethenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 283.13 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-[(E)-2-ethoxyethenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 177177894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).