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

C19H19FN4O2 — CID 134788354

IUPAC7-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1ccc(-n2nc3n(c2=O)CCN(Cc2ccc(F)cc2)C3)cc1
InChIInChI=1S/C19H19FN4O2/c1-26-17-8-6-16(7-9-17)24-19(25)23-11-10-22(13-18(23)21-24)12-14-2-4-15(20)5-3-14/h2-9H,10-13H2,1H3
InChIKeyQGDSJSFUOOGFSO-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.20
Rot. Bonds4

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

7-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 134788354) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID134788354
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name7-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1ccc(-n2nc3n(c2=O)CCN(Cc2ccc(F)cc2)C3)cc1
InChIInChI=1S/C19H19FN4O2/c1-26-17-8-6-16(7-9-17)24-19(25)23-11-10-22(13-18(23)21-24)12-14-2-4-15(20)5-3-14/h2-9H,10-13H2,1H3
InChIKeyQGDSJSFUOOGFSO-UHFFFAOYSA-N
XLogP2.20
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 134788354) is 7-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is COc1ccc(-n2nc3n(c2=O)CCN(Cc2ccc(F)cc2)C3)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is QGDSJSFUOOGFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-26-17-8-6-16(7-9-17)24-19(25)23-11-10-22(13-18(23)21-24)12-14-2-4-15(20)5-3-14/h2-9H,10-13H2,1H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 354.39 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 134788354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).