2-[2-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one

C15H17F2N5O2 — CID 154738579

IUPAC2-[2-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one
SMILESCn1cnn(CC(=O)N2CCN(c3cc(F)ccc3F)CC2)c1=O
InChIInChI=1S/C15H17F2N5O2/c1-19-10-18-22(15(19)24)9-14(23)21-6-4-20(5-7-21)13-8-11(16)2-3-12(13)17/h2-3,8,10H,4-7,9H2,1H3
InChIKeyURUSLRFOFOWIGZ-UHFFFAOYSA-N
MW337.33 g/mol
LogP0.21
Rot. Bonds3

About 2-[2-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one

2-[2-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one (PubChem CID 154738579) has the molecular formula C15H17F2N5O2 and a molecular weight of 337.33 g/mol. Its IUPAC name is 2-[2-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-[2-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one
PubChem CID154738579
Molecular FormulaC15H17F2N5O2
Molecular Weight337.33 g/mol
Exact Mass337.14
IUPAC Name2-[2-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one
SMILESCn1cnn(CC(=O)N2CCN(c3cc(F)ccc3F)CC2)c1=O
InChIInChI=1S/C15H17F2N5O2/c1-19-10-18-22(15(19)24)9-14(23)21-6-4-20(5-7-21)13-8-11(16)2-3-12(13)17/h2-3,8,10H,4-7,9H2,1H3
InChIKeyURUSLRFOFOWIGZ-UHFFFAOYSA-N
XLogP0.21
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one with MolForge

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Related Compounds

4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,4-triazol-3-one
CID 115774445
2-[2-(azepan-1-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one
CID 113340196
2-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone
CID 82482185
4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119887909
4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120565643
2-(cyclopropylmethylamino)-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119887886
2-(4-ethylphenyl)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 50926116
2-[2-[(2S)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one
CID 124616282
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]ethanone;hydrochloride
CID 45284437
3-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 120504016
1-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 119887891
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 35334739

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one?
The IUPAC name of 2-[2-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one (CID 154738579) is 2-[2-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-[2-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 2-[2-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one is Cn1cnn(CC(=O)N2CCN(c3cc(F)ccc3F)CC2)c1=O.
What is the InChIKey of 2-[2-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one?
The InChIKey is URUSLRFOFOWIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5O2/c1-19-10-18-22(15(19)24)9-14(23)21-6-4-20(5-7-21)13-8-11(16)2-3-12(13)17/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 2-[2-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one?
2-[2-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one has a molecular weight of 337.33 g/mol, XLogP of 0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 154738579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).