2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2,3,5,6-tetrafluorophenyl)acetamide

C15H10F4N4O2 — CID 24791773

IUPAC2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2,3,5,6-tetrafluorophenyl)acetamide
SMILESCc1nn(CC(=O)Nc2c(F)c(F)cc(F)c2F)c(=O)c2cccn12
InChIInChI=1S/C15H10F4N4O2/c1-7-21-23(15(25)10-3-2-4-22(7)10)6-11(24)20-14-12(18)8(16)5-9(17)13(14)19/h2-5H,6H2,1H3,(H,20,24)
InChIKeyKFQMJPPBBPYEMF-UHFFFAOYSA-N
MW354.26 g/mol
LogP2.00
Rot. Bonds3

About 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2,3,5,6-tetrafluorophenyl)acetamide

2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2,3,5,6-tetrafluorophenyl)acetamide (PubChem CID 24791773) has the molecular formula C15H10F4N4O2 and a molecular weight of 354.26 g/mol. Its IUPAC name is 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2,3,5,6-tetrafluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2,3,5,6-tetrafluorophenyl)acetamide
PubChem CID24791773
Molecular FormulaC15H10F4N4O2
Molecular Weight354.26 g/mol
Exact Mass354.07
IUPAC Name2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2,3,5,6-tetrafluorophenyl)acetamide
SMILESCc1nn(CC(=O)Nc2c(F)c(F)cc(F)c2F)c(=O)c2cccn12
InChIInChI=1S/C15H10F4N4O2/c1-7-21-23(15(25)10-3-2-4-22(7)10)6-11(24)20-14-12(18)8(16)5-9(17)13(14)19/h2-5H,6H2,1H3,(H,20,24)
InChIKeyKFQMJPPBBPYEMF-UHFFFAOYSA-N
XLogP2.00
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2,3,5,6-tetrafluorophenyl)acetamide?
The IUPAC name of 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2,3,5,6-tetrafluorophenyl)acetamide (CID 24791773) is 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2,3,5,6-tetrafluorophenyl)acetamide.
What is the SMILES notation for 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2,3,5,6-tetrafluorophenyl)acetamide?
The canonical SMILES for 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2,3,5,6-tetrafluorophenyl)acetamide is Cc1nn(CC(=O)Nc2c(F)c(F)cc(F)c2F)c(=O)c2cccn12.
What is the InChIKey of 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2,3,5,6-tetrafluorophenyl)acetamide?
The InChIKey is KFQMJPPBBPYEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N4O2/c1-7-21-23(15(25)10-3-2-4-22(7)10)6-11(24)20-14-12(18)8(16)5-9(17)13(14)19/h2-5H,6H2,1H3,(H,20,24).
What are the key properties of 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2,3,5,6-tetrafluorophenyl)acetamide?
2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2,3,5,6-tetrafluorophenyl)acetamide has a molecular weight of 354.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(2,3,5,6-tetrafluorophenyl)acetamide is sourced from PubChem (CID 24791773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).