4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyaniline

C12H10N4O — CID 58882195

IUPAC4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyaniline
SMILESNc1ccc(Oc2ncnn3cccc23)cc1
InChIInChI=1S/C12H10N4O/c13-9-3-5-10(6-4-9)17-12-11-2-1-7-16(11)15-8-14-12/h1-8H,13H2
InChIKeyXLMIXLVLUDRLAN-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.10
Rot. Bonds2

About 4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyaniline

4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyaniline (PubChem CID 58882195) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyaniline.

Molecular Properties

Compound Name4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyaniline
PubChem CID58882195
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyaniline
SMILESNc1ccc(Oc2ncnn3cccc23)cc1
InChIInChI=1S/C12H10N4O/c13-9-3-5-10(6-4-9)17-12-11-2-1-7-16(11)15-8-14-12/h1-8H,13H2
InChIKeyXLMIXLVLUDRLAN-UHFFFAOYSA-N
XLogP2.10
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyaniline?
The IUPAC name of 4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyaniline (CID 58882195) is 4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyaniline.
What is the SMILES notation for 4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyaniline?
The canonical SMILES for 4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyaniline is Nc1ccc(Oc2ncnn3cccc23)cc1.
What is the InChIKey of 4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyaniline?
The InChIKey is XLMIXLVLUDRLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-9-3-5-10(6-4-9)17-12-11-2-1-7-16(11)15-8-14-12/h1-8H,13H2.
What are the key properties of 4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyaniline?
4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyaniline has a molecular weight of 226.24 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyaniline is sourced from PubChem (CID 58882195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).