[2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl formate

C14H10FN3O3 — CID 164812013

IUPAC[2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl formate
SMILESO=COCc1cc2c(=O)[nH]c(-c3ccccc3F)nn2c1
InChIInChI=1S/C14H10FN3O3/c15-11-4-2-1-3-10(11)13-16-14(20)12-5-9(7-21-8-19)6-18(12)17-13/h1-6,8H,7H2,(H,16,17,20)
InChIKeyUQCHGJDWEKBZOE-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.50
Rot. Bonds4

About [2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl formate

[2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl formate (PubChem CID 164812013) has the molecular formula C14H10FN3O3 and a molecular weight of 287.25 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl formate.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl formate
PubChem CID164812013
Molecular FormulaC14H10FN3O3
Molecular Weight287.25 g/mol
Exact Mass287.07
IUPAC Name[2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl formate
SMILESO=COCc1cc2c(=O)[nH]c(-c3ccccc3F)nn2c1
InChIInChI=1S/C14H10FN3O3/c15-11-4-2-1-3-10(11)13-16-14(20)12-5-9(7-21-8-19)6-18(12)17-13/h1-6,8H,7H2,(H,16,17,20)
InChIKeyUQCHGJDWEKBZOE-UHFFFAOYSA-N
XLogP1.50
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl formate?
The IUPAC name of [2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl formate (CID 164812013) is [2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl formate.
What is the SMILES notation for [2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl formate?
The canonical SMILES for [2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl formate is O=COCc1cc2c(=O)[nH]c(-c3ccccc3F)nn2c1.
What is the InChIKey of [2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl formate?
The InChIKey is UQCHGJDWEKBZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O3/c15-11-4-2-1-3-10(11)13-16-14(20)12-5-9(7-21-8-19)6-18(12)17-13/h1-6,8H,7H2,(H,16,17,20).
What are the key properties of [2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl formate?
[2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl formate has a molecular weight of 287.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl formate is sourced from PubChem (CID 164812013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).