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

C15H13FN4O2 — CID 22514438

IUPACN-(4-fluorophenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)cc2)c(=O)c2cccn12
InChIInChI=1S/C15H13FN4O2/c1-10-18-20(15(22)13-3-2-8-19(10)13)9-14(21)17-12-6-4-11(16)5-7-12/h2-8H,9H2,1H3,(H,17,21)
InChIKeyKXYZTKOOWZYMKS-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.58
Rot. Bonds3

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

N-(4-fluorophenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (PubChem CID 22514438) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
PubChem CID22514438
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC NameN-(4-fluorophenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)cc2)c(=O)c2cccn12
InChIInChI=1S/C15H13FN4O2/c1-10-18-20(15(22)13-3-2-8-19(10)13)9-14(21)17-12-6-4-11(16)5-7-12/h2-8H,9H2,1H3,(H,17,21)
InChIKeyKXYZTKOOWZYMKS-UHFFFAOYSA-N
XLogP1.58
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.58
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-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (CID 22514438) is N-(4-fluorophenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is Cc1nn(CC(=O)Nc2ccc(F)cc2)c(=O)c2cccn12.
What is the InChIKey of N-(4-fluorophenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The InChIKey is KXYZTKOOWZYMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c1-10-18-20(15(22)13-3-2-8-19(10)13)9-14(21)17-12-6-4-11(16)5-7-12/h2-8H,9H2,1H3,(H,17,21).
What are the key properties of N-(4-fluorophenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
N-(4-fluorophenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide has a molecular weight of 300.29 g/mol, XLogP of 1.58, 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-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is sourced from PubChem (CID 22514438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).