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

C15H12F2N4O2 — CID 22514430

IUPACN-(2,4-difluorophenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)cc2F)c(=O)c2cccn12
InChIInChI=1S/C15H12F2N4O2/c1-9-19-21(15(23)13-3-2-6-20(9)13)8-14(22)18-12-5-4-10(16)7-11(12)17/h2-7H,8H2,1H3,(H,18,22)
InChIKeyYUBSSPUDWBTJHA-UHFFFAOYSA-N
MW318.28 g/mol
LogP1.72
Rot. Bonds3

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

N-(2,4-difluorophenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (PubChem CID 22514430) has the molecular formula C15H12F2N4O2 and a molecular weight of 318.28 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
PubChem CID22514430
Molecular FormulaC15H12F2N4O2
Molecular Weight318.28 g/mol
Exact Mass318.09
IUPAC NameN-(2,4-difluorophenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)cc2F)c(=O)c2cccn12
InChIInChI=1S/C15H12F2N4O2/c1-9-19-21(15(23)13-3-2-6-20(9)13)8-14(22)18-12-5-4-10(16)7-11(12)17/h2-7H,8H2,1H3,(H,18,22)
InChIKeyYUBSSPUDWBTJHA-UHFFFAOYSA-N
XLogP1.72
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (CID 22514430) is N-(2,4-difluorophenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is Cc1nn(CC(=O)Nc2ccc(F)cc2F)c(=O)c2cccn12.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The InChIKey is YUBSSPUDWBTJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O2/c1-9-19-21(15(23)13-3-2-6-20(9)13)8-14(22)18-12-5-4-10(16)7-11(12)17/h2-7H,8H2,1H3,(H,18,22).
What are the key properties of N-(2,4-difluorophenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
N-(2,4-difluorophenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide has a molecular weight of 318.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is sourced from PubChem (CID 22514430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).