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

C14H22N6O — CID 60805471

IUPAC5-[[piperidin-4-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCN(Cc1cc(=O)n2[nH]cnc2n1)C1CCNCC1
InChIInChI=1S/C14H22N6O/c1-2-7-19(12-3-5-15-6-4-12)9-11-8-13(21)20-14(18-11)16-10-17-20/h8,10,12,15H,2-7,9H2,1H3,(H,16,17,18)
InChIKeyLWZMSILYAHEGJO-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.38
Rot. Bonds5

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

5-[[piperidin-4-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 60805471) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-[[piperidin-4-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[piperidin-4-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID60805471
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name5-[[piperidin-4-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCN(Cc1cc(=O)n2[nH]cnc2n1)C1CCNCC1
InChIInChI=1S/C14H22N6O/c1-2-7-19(12-3-5-15-6-4-12)9-11-8-13(21)20-14(18-11)16-10-17-20/h8,10,12,15H,2-7,9H2,1H3,(H,16,17,18)
InChIKeyLWZMSILYAHEGJO-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

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Frequently Asked Questions

What is the IUPAC name of 5-[[piperidin-4-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[piperidin-4-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 60805471) is 5-[[piperidin-4-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[piperidin-4-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[piperidin-4-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCCN(Cc1cc(=O)n2[nH]cnc2n1)C1CCNCC1.
What is the InChIKey of 5-[[piperidin-4-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LWZMSILYAHEGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-2-7-19(12-3-5-15-6-4-12)9-11-8-13(21)20-14(18-11)16-10-17-20/h8,10,12,15H,2-7,9H2,1H3,(H,16,17,18).
What are the key properties of 5-[[piperidin-4-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[piperidin-4-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-4-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 60805471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).