5-ethyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one

C17H19FN4O — CID 121273153

IUPAC5-ethyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCCCc1nnc2c(=O)n(Cc3cccc(F)c3)cc(CC)n12
InChIInChI=1S/C17H19FN4O/c1-3-6-15-19-20-16-17(23)21(11-14(4-2)22(15)16)10-12-7-5-8-13(18)9-12/h5,7-9,11H,3-4,6,10H2,1-2H3
InChIKeyKTTWMMMMQZXIPO-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.59
Rot. Bonds5

About 5-ethyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one

5-ethyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 121273153) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 5-ethyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name5-ethyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID121273153
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name5-ethyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCCCc1nnc2c(=O)n(Cc3cccc(F)c3)cc(CC)n12
InChIInChI=1S/C17H19FN4O/c1-3-6-15-19-20-16-17(23)21(11-14(4-2)22(15)16)10-12-7-5-8-13(18)9-12/h5,7-9,11H,3-4,6,10H2,1-2H3
InChIKeyKTTWMMMMQZXIPO-UHFFFAOYSA-N
XLogP2.59
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 5-ethyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 121273153) is 5-ethyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 5-ethyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 5-ethyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is CCCc1nnc2c(=O)n(Cc3cccc(F)c3)cc(CC)n12.
What is the InChIKey of 5-ethyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is KTTWMMMMQZXIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-3-6-15-19-20-16-17(23)21(11-14(4-2)22(15)16)10-12-7-5-8-13(18)9-12/h5,7-9,11H,3-4,6,10H2,1-2H3.
What are the key properties of 5-ethyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
5-ethyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 314.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 121273153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).