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

C13H20N6O — CID 63596398

IUPAC5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(N)C1CCN(Cc2cc(=O)n3[nH]cnc3n2)CC1
InChIInChI=1S/C13H20N6O/c1-9(14)10-2-4-18(5-3-10)7-11-6-12(20)19-13(17-11)15-8-16-19/h6,8-10H,2-5,7,14H2,1H3,(H,15,16,17)
InChIKeyRAASHKMTUIOFBN-UHFFFAOYSA-N
MW276.34 g/mol
LogP-0.02
Rot. Bonds3

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

5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 63596398) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID63596398
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(N)C1CCN(Cc2cc(=O)n3[nH]cnc3n2)CC1
InChIInChI=1S/C13H20N6O/c1-9(14)10-2-4-18(5-3-10)7-11-6-12(20)19-13(17-11)15-8-16-19/h6,8-10H,2-5,7,14H2,1H3,(H,15,16,17)
InChIKeyRAASHKMTUIOFBN-UHFFFAOYSA-N
XLogP-0.02
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 75456003
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
(7-Hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)(4-methylpiperidin-1-yl)methanone
CID 17583901
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
5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 61206264

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 63596398) is 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(N)C1CCN(Cc2cc(=O)n3[nH]cnc3n2)CC1.
What is the InChIKey of 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RAASHKMTUIOFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-9(14)10-2-4-18(5-3-10)7-11-6-12(20)19-13(17-11)15-8-16-19/h6,8-10H,2-5,7,14H2,1H3,(H,15,16,17).
What are the key properties of 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[4-(1-aminoethyl)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 -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 63596398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).