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

C15H13FN4O2 — CID 16668881

IUPACN-[(4-fluorophenyl)methyl]-2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetamide
SMILESO=C(Cn1ncc2cccn2c1=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H13FN4O2/c16-12-5-3-11(4-6-12)8-17-14(21)10-20-15(22)19-7-1-2-13(19)9-18-20/h1-7,9H,8,10H2,(H,17,21)
InChIKeyNJRKTQBFQNFABR-UHFFFAOYSA-N
MW300.29 g/mol
LogP0.95
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetamide (PubChem CID 16668881) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetamide
PubChem CID16668881
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetamide
SMILESO=C(Cn1ncc2cccn2c1=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H13FN4O2/c16-12-5-3-11(4-6-12)8-17-14(21)10-20-15(22)19-7-1-2-13(19)9-18-20/h1-7,9H,8,10H2,(H,17,21)
InChIKeyNJRKTQBFQNFABR-UHFFFAOYSA-N
XLogP0.95
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetamide (CID 16668881) is N-[(4-fluorophenyl)methyl]-2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetamide is O=C(Cn1ncc2cccn2c1=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetamide?
The InChIKey is NJRKTQBFQNFABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c16-12-5-3-11(4-6-12)8-17-14(21)10-20-15(22)19-7-1-2-13(19)9-18-20/h1-7,9H,8,10H2,(H,17,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetamide has a molecular weight of 300.29 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetamide is sourced from PubChem (CID 16668881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).