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

C17H17FN4O — CID 121273138

IUPAC5-ethenyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESC=Cc1cn(Cc2cccc(F)c2)c(=O)c2nnc(CCC)n12
InChIInChI=1S/C17H17FN4O/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/h4-5,7-9,11H,2-3,6,10H2,1H3
InChIKeyBYJOHMUVDWELDL-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.67
Rot. Bonds5

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

5-ethenyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 121273138) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 5-ethenyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name5-ethenyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID121273138
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name5-ethenyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESC=Cc1cn(Cc2cccc(F)c2)c(=O)c2nnc(CCC)n12
InChIInChI=1S/C17H17FN4O/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/h4-5,7-9,11H,2-3,6,10H2,1H3
InChIKeyBYJOHMUVDWELDL-UHFFFAOYSA-N
XLogP2.67
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 5-ethenyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 121273138) is 5-ethenyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 5-ethenyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 5-ethenyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is C=Cc1cn(Cc2cccc(F)c2)c(=O)c2nnc(CCC)n12.
What is the InChIKey of 5-ethenyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is BYJOHMUVDWELDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/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/h4-5,7-9,11H,2-3,6,10H2,1H3.
What are the key properties of 5-ethenyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
5-ethenyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 312.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-7-[(3-fluorophenyl)methyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 121273138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).