7-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C15H15FN4O2 — CID 134794157

IUPAC7-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=C(C1CC1)N1CCn2c(nn(-c3ccc(F)cc3)c2=O)C1
InChIInChI=1S/C15H15FN4O2/c16-11-3-5-12(6-4-11)20-15(22)19-8-7-18(9-13(19)17-20)14(21)10-1-2-10/h3-6,10H,1-2,7-9H2
InChIKeyHTDGUBYMICRVHB-UHFFFAOYSA-N
MW302.31 g/mol
LogP0.93
Rot. Bonds2

About 7-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

7-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 134794157) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is 7-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID134794157
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name7-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=C(C1CC1)N1CCn2c(nn(-c3ccc(F)cc3)c2=O)C1
InChIInChI=1S/C15H15FN4O2/c16-11-3-5-12(6-4-11)20-15(22)19-8-7-18(9-13(19)17-20)14(21)10-1-2-10/h3-6,10H,1-2,7-9H2
InChIKeyHTDGUBYMICRVHB-UHFFFAOYSA-N
XLogP0.93
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 7-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 134794157) is 7-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 7-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 7-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=C(C1CC1)N1CCn2c(nn(-c3ccc(F)cc3)c2=O)C1.
What is the InChIKey of 7-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is HTDGUBYMICRVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c16-11-3-5-12(6-4-11)20-15(22)19-8-7-18(9-13(19)17-20)14(21)10-1-2-10/h3-6,10H,1-2,7-9H2.
What are the key properties of 7-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 302.31 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 134794157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).