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

C13H20N6O — CID 61206264

IUPAC5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCNCC1CCCN(Cc2cc(=O)n3[nH]cnc3n2)C1
InChIInChI=1S/C13H20N6O/c1-14-6-10-3-2-4-18(7-10)8-11-5-12(20)19-13(17-11)15-9-16-19/h5,9-10,14H,2-4,6-8H2,1H3,(H,15,16,17)
InChIKeyRXFUYFJMBWMOEH-UHFFFAOYSA-N
MW276.34 g/mol
LogP-0.15
Rot. Bonds4

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

5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 61206264) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID61206264
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCNCC1CCCN(Cc2cc(=O)n3[nH]cnc3n2)C1
InChIInChI=1S/C13H20N6O/c1-14-6-10-3-2-4-18(7-10)8-11-5-12(20)19-13(17-11)15-9-16-19/h5,9-10,14H,2-4,6-8H2,1H3,(H,15,16,17)
InChIKeyRXFUYFJMBWMOEH-UHFFFAOYSA-N
XLogP-0.15
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 61206264) is 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CNCC1CCCN(Cc2cc(=O)n3[nH]cnc3n2)C1.
What is the InChIKey of 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RXFUYFJMBWMOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-14-6-10-3-2-4-18(7-10)8-11-5-12(20)19-13(17-11)15-9-16-19/h5,9-10,14H,2-4,6-8H2,1H3,(H,15,16,17).
What are the key properties of 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 276.34 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 61206264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).