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

C14H22N6O — CID 63638381

IUPAC5-[[piperidin-3-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCN(Cc1cc(=O)n2[nH]cnc2n1)C1CCCNC1
InChIInChI=1S/C14H22N6O/c1-2-6-19(12-4-3-5-15-8-12)9-11-7-13(21)20-14(18-11)16-10-17-20/h7,10,12,15H,2-6,8-9H2,1H3,(H,16,17,18)
InChIKeyXSAZYPLGPBTKJH-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.38
Rot. Bonds5

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

5-[[piperidin-3-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 63638381) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-[[piperidin-3-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[piperidin-3-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID63638381
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name5-[[piperidin-3-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCN(Cc1cc(=O)n2[nH]cnc2n1)C1CCCNC1
InChIInChI=1S/C14H22N6O/c1-2-6-19(12-4-3-5-15-8-12)9-11-7-13(21)20-14(18-11)16-10-17-20/h7,10,12,15H,2-6,8-9H2,1H3,(H,16,17,18)
InChIKeyXSAZYPLGPBTKJH-UHFFFAOYSA-N
XLogP0.38
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-Methyl-2-piperidin-1-yl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 14547518
5-methyl-2-(4-methylpiperazin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 14547519
5-methyl-2-[3-(4-methylpiperazin-1-yl)propylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 58878213
5-methyl-2-[3-(4-methylpiperazin-1-yl)propylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;dihydrochloride
CID 169424325
2-Amino-3-diazenyl-6-(piperidin-1-ylmethyl)pyrimidin-4-one
CID 174256114
5-(1,4-diazepan-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 43162425
5-[(4-aminopiperidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 43556653
5-[[methyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 43607145
5-[(2-methylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 55104773
5-[(4-isobutyl-2-methyl-3-oxo-1-piperazinyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 56913594
5-[[piperidin-4-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 60805471
5-[[ethyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 60807302

Frequently Asked Questions

What is the IUPAC name of 5-[[piperidin-3-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[piperidin-3-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 63638381) is 5-[[piperidin-3-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[piperidin-3-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[piperidin-3-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCCN(Cc1cc(=O)n2[nH]cnc2n1)C1CCCNC1.
What is the InChIKey of 5-[[piperidin-3-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is XSAZYPLGPBTKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-2-6-19(12-4-3-5-15-8-12)9-11-7-13(21)20-14(18-11)16-10-17-20/h7,10,12,15H,2-6,8-9H2,1H3,(H,16,17,18).
What are the key properties of 5-[[piperidin-3-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[piperidin-3-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 290.37 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[piperidin-3-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 63638381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).