5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C17H18FN5O — CID 56900716

IUPAC5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CN2CCCCC2c2cccc(F)c2)nc2nc[nH]n12
InChIInChI=1S/C17H18FN5O/c18-13-5-3-4-12(8-13)15-6-1-2-7-22(15)10-14-9-16(24)23-17(21-14)19-11-20-23/h3-5,8-9,11,15H,1-2,6-7,10H2,(H,19,20,21)
InChIKeyZAPSUBIRQVPXBV-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.28
Rot. Bonds3

About 5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 56900716) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID56900716
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CN2CCCCC2c2cccc(F)c2)nc2nc[nH]n12
InChIInChI=1S/C17H18FN5O/c18-13-5-3-4-12(8-13)15-6-1-2-7-22(15)10-14-9-16(24)23-17(21-14)19-11-20-23/h3-5,8-9,11,15H,1-2,6-7,10H2,(H,19,20,21)
InChIKeyZAPSUBIRQVPXBV-UHFFFAOYSA-N
XLogP2.28
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

5-methyl-2-phenyl-3-(piperidin-1-yl)-4H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307466
2-[(2-Fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 1943193
5-(4-Fluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 6464185
2-[(2-fluorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 666574
2-[(4-Fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 1857801
2-[(2-fluorobenzyl)amino]-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1266947
5-methyl-2-[[(1R)-1-phenylethyl]amino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 137645042
3-phenyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 51356806
5-(2-Fluoro-phenyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 21104344
US10975084, Example 8-30
CID 69408513
US10975084, Example 11-49
CID 134439443
US10975084, Example 11-48
CID 134439461

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 56900716) is 5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(CN2CCCCC2c2cccc(F)c2)nc2nc[nH]n12.
What is the InChIKey of 5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZAPSUBIRQVPXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c18-13-5-3-4-12(8-13)15-6-1-2-7-22(15)10-14-9-16(24)23-17(21-14)19-11-20-23/h3-5,8-9,11,15H,1-2,6-7,10H2,(H,19,20,21).
What are the key properties of 5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 327.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 56900716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).