N-[3-(3-benzyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]acetamide

C21H20FN5O2 — CID 136527698

IUPACN-[3-(3-benzyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)N2CCn3c(Cc4ccccc4)nnc3C2)c1
InChIInChI=1S/C21H20FN5O2/c1-14(28)23-16-7-8-18(22)17(12-16)21(29)26-9-10-27-19(24-25-20(27)13-26)11-15-5-3-2-4-6-15/h2-8,12H,9-11,13H2,1H3,(H,23,28)
InChIKeyOLNGYLAELOUYBA-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.62
Rot. Bonds4

About N-[3-(3-benzyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]acetamide

N-[3-(3-benzyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]acetamide (PubChem CID 136527698) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[3-(3-benzyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-benzyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]acetamide
PubChem CID136527698
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC NameN-[3-(3-benzyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)N2CCn3c(Cc4ccccc4)nnc3C2)c1
InChIInChI=1S/C21H20FN5O2/c1-14(28)23-16-7-8-18(22)17(12-16)21(29)26-9-10-27-19(24-25-20(27)13-26)11-15-5-3-2-4-6-15/h2-8,12H,9-11,13H2,1H3,(H,23,28)
InChIKeyOLNGYLAELOUYBA-UHFFFAOYSA-N
XLogP2.62
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-benzyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]acetamide?
The IUPAC name of N-[3-(3-benzyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]acetamide (CID 136527698) is N-[3-(3-benzyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]acetamide.
What is the SMILES notation for N-[3-(3-benzyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]acetamide?
The canonical SMILES for N-[3-(3-benzyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]acetamide is CC(=O)Nc1ccc(F)c(C(=O)N2CCn3c(Cc4ccccc4)nnc3C2)c1.
What is the InChIKey of N-[3-(3-benzyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]acetamide?
The InChIKey is OLNGYLAELOUYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-14(28)23-16-7-8-18(22)17(12-16)21(29)26-9-10-27-19(24-25-20(27)13-26)11-15-5-3-2-4-6-15/h2-8,12H,9-11,13H2,1H3,(H,23,28).
What are the key properties of N-[3-(3-benzyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]acetamide?
N-[3-(3-benzyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]acetamide has a molecular weight of 393.42 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-benzyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]acetamide is sourced from PubChem (CID 136527698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).