N-[(3-fluorophenyl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide

C16H15FN4O2 — CID 22514513

IUPACN-[(3-fluorophenyl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCc1nn(CC(=O)NCc2cccc(F)c2)c(=O)c2cccn12
InChIInChI=1S/C16H15FN4O2/c1-11-19-21(16(23)14-6-3-7-20(11)14)10-15(22)18-9-12-4-2-5-13(17)8-12/h2-8H,9-10H2,1H3,(H,18,22)
InChIKeyQRLUISOQPPWMKE-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.26
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide

N-[(3-fluorophenyl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (PubChem CID 22514513) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
PubChem CID22514513
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC NameN-[(3-fluorophenyl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCc1nn(CC(=O)NCc2cccc(F)c2)c(=O)c2cccn12
InChIInChI=1S/C16H15FN4O2/c1-11-19-21(16(23)14-6-3-7-20(11)14)10-15(22)18-9-12-4-2-5-13(17)8-12/h2-8H,9-10H2,1H3,(H,18,22)
InChIKeyQRLUISOQPPWMKE-UHFFFAOYSA-N
XLogP1.26
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (CID 22514513) is N-[(3-fluorophenyl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is Cc1nn(CC(=O)NCc2cccc(F)c2)c(=O)c2cccn12.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The InChIKey is QRLUISOQPPWMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-11-19-21(16(23)14-6-3-7-20(11)14)10-15(22)18-9-12-4-2-5-13(17)8-12/h2-8H,9-10H2,1H3,(H,18,22).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
N-[(3-fluorophenyl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide has a molecular weight of 314.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is sourced from PubChem (CID 22514513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).