5-[(3-fluorophenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-4-one

C20H15FN6O2 — CID 91891120

IUPAC5-[(3-fluorophenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2c(-c3nc(-c4ccccc4)no3)nnn2CCN1Cc1cccc(F)c1
InChIInChI=1S/C20H15FN6O2/c21-15-8-4-5-13(11-15)12-26-9-10-27-17(20(26)28)16(23-25-27)19-22-18(24-29-19)14-6-2-1-3-7-14/h1-8,11H,9-10,12H2
InChIKeySPKDCVAFQBOUJA-UHFFFAOYSA-N
MW390.38 g/mol
LogP2.79
Rot. Bonds4

About 5-[(3-fluorophenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-4-one

5-[(3-fluorophenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-4-one (PubChem CID 91891120) has the molecular formula C20H15FN6O2 and a molecular weight of 390.38 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-4-one
PubChem CID91891120
Molecular FormulaC20H15FN6O2
Molecular Weight390.38 g/mol
Exact Mass390.12
IUPAC Name5-[(3-fluorophenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2c(-c3nc(-c4ccccc4)no3)nnn2CCN1Cc1cccc(F)c1
InChIInChI=1S/C20H15FN6O2/c21-15-8-4-5-13(11-15)12-26-9-10-27-17(20(26)28)16(23-25-27)19-22-18(24-29-19)14-6-2-1-3-7-14/h1-8,11H,9-10,12H2
InChIKeySPKDCVAFQBOUJA-UHFFFAOYSA-N
XLogP2.79
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2-fluorophenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-4-one
CID 91891140
N-(4-methylphenyl)-2-[4-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide
CID 91891089
5-(3-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole
CID 53170049
3-benzyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 94943137
5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 59604058
5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-phenylpyrimidine
CID 56909083
N-(2,4-dimethylphenyl)-2-[4-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide
CID 91891107
7-[(3-fluorophenyl)methyl]-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
CID 75466407
3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 139220637
5-[(3-fluorophenyl)methylsulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
CID 78845533
2-(3-fluorophenyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 53032675
3-[4-[(3-fluorophenyl)methoxy]phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 46044104

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-4-one (CID 91891120) is 5-[(3-fluorophenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-4-one is O=C1c2c(-c3nc(-c4ccccc4)no3)nnn2CCN1Cc1cccc(F)c1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-4-one?
The InChIKey is SPKDCVAFQBOUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6O2/c21-15-8-4-5-13(11-15)12-26-9-10-27-17(20(26)28)16(23-25-27)19-22-18(24-29-19)14-6-2-1-3-7-14/h1-8,11H,9-10,12H2.
What are the key properties of 5-[(3-fluorophenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-4-one?
5-[(3-fluorophenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-4-one has a molecular weight of 390.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91891120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).