methyl 2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

C14H10FN3O3 — CID 165136083

IUPACmethyl 2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCOC(=O)c1cc2c(=O)[nH]c(-c3ccccc3F)nn2c1
InChIInChI=1S/C14H10FN3O3/c1-21-14(20)8-6-11-13(19)16-12(17-18(11)7-8)9-4-2-3-5-10(9)15/h2-7H,1H3,(H,16,17,19)
InChIKeyRTGLCHDFSBRYIN-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.62
Rot. Bonds2

About methyl 2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

methyl 2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (PubChem CID 165136083) has the molecular formula C14H10FN3O3 and a molecular weight of 287.25 g/mol. Its IUPAC name is methyl 2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
PubChem CID165136083
Molecular FormulaC14H10FN3O3
Molecular Weight287.25 g/mol
Exact Mass287.07
IUPAC Namemethyl 2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCOC(=O)c1cc2c(=O)[nH]c(-c3ccccc3F)nn2c1
InChIInChI=1S/C14H10FN3O3/c1-21-14(20)8-6-11-13(19)16-12(17-18(11)7-8)9-4-2-3-5-10(9)15/h2-7H,1H3,(H,16,17,19)
InChIKeyRTGLCHDFSBRYIN-UHFFFAOYSA-N
XLogP1.62
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The IUPAC name of methyl 2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (CID 165136083) is methyl 2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.
What is the SMILES notation for methyl 2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The canonical SMILES for methyl 2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is COC(=O)c1cc2c(=O)[nH]c(-c3ccccc3F)nn2c1.
What is the InChIKey of methyl 2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The InChIKey is RTGLCHDFSBRYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O3/c1-21-14(20)8-6-11-13(19)16-12(17-18(11)7-8)9-4-2-3-5-10(9)15/h2-7H,1H3,(H,16,17,19).
What are the key properties of methyl 2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
methyl 2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate has a molecular weight of 287.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluorophenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is sourced from PubChem (CID 165136083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).