N-(4-fluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide

C14H11FN4O2 — CID 22514357

IUPACN-(4-fluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESO=C(Cn1ncn2cccc2c1=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H11FN4O2/c15-10-3-5-11(6-4-10)17-13(20)8-19-14(21)12-2-1-7-18(12)9-16-19/h1-7,9H,8H2,(H,17,20)
InChIKeyXVCFXEJYBKAWNT-UHFFFAOYSA-N
MW286.27 g/mol
LogP1.27
Rot. Bonds3

About N-(4-fluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide

N-(4-fluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (PubChem CID 22514357) has the molecular formula C14H11FN4O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
PubChem CID22514357
Molecular FormulaC14H11FN4O2
Molecular Weight286.27 g/mol
Exact Mass286.09
IUPAC NameN-(4-fluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESO=C(Cn1ncn2cccc2c1=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H11FN4O2/c15-10-3-5-11(6-4-10)17-13(20)8-19-14(21)12-2-1-7-18(12)9-16-19/h1-7,9H,8H2,(H,17,20)
InChIKeyXVCFXEJYBKAWNT-UHFFFAOYSA-N
XLogP1.27
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (CID 22514357) is N-(4-fluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is O=C(Cn1ncn2cccc2c1=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The InChIKey is XVCFXEJYBKAWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2/c15-10-3-5-11(6-4-10)17-13(20)8-19-14(21)12-2-1-7-18(12)9-16-19/h1-7,9H,8H2,(H,17,20).
What are the key properties of N-(4-fluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
N-(4-fluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide has a molecular weight of 286.27 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is sourced from PubChem (CID 22514357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).