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

C12H18N6O — CID 43607145

IUPAC5-[[methyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCN(Cc1cc(=O)n2[nH]cnc2n1)C1CCNCC1
InChIInChI=1S/C12H18N6O/c1-17(10-2-4-13-5-3-10)7-9-6-11(19)18-12(16-9)14-8-15-18/h6,8,10,13H,2-5,7H2,1H3,(H,14,15,16)
InChIKeyQHBNCWSVQHZUAY-UHFFFAOYSA-N
MW262.32 g/mol
LogP-0.40
Rot. Bonds3

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

5-[[methyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 43607145) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 5-[[methyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[methyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID43607145
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name5-[[methyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCN(Cc1cc(=O)n2[nH]cnc2n1)C1CCNCC1
InChIInChI=1S/C12H18N6O/c1-17(10-2-4-13-5-3-10)7-9-6-11(19)18-12(16-9)14-8-15-18/h6,8,10,13H,2-5,7H2,1H3,(H,14,15,16)
InChIKeyQHBNCWSVQHZUAY-UHFFFAOYSA-N
XLogP-0.40
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[methyl(piperidin-4-yl)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
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-[(2-methylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 55104773
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
5-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 61232992
5-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 61233513

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[methyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 43607145) is 5-[[methyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[methyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[methyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CN(Cc1cc(=O)n2[nH]cnc2n1)C1CCNCC1.
What is the InChIKey of 5-[[methyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is QHBNCWSVQHZUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-17(10-2-4-13-5-3-10)7-9-6-11(19)18-12(16-9)14-8-15-18/h6,8,10,13H,2-5,7H2,1H3,(H,14,15,16).
What are the key properties of 5-[[methyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[methyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 262.32 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 43607145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).