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

C14H22N6O — CID 80546138

IUPAC5-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCNCC1CCN(Cc2cc(=O)n3[nH]cnc3n2)CC1
InChIInChI=1S/C14H22N6O/c1-2-15-8-11-3-5-19(6-4-11)9-12-7-13(21)20-14(18-12)16-10-17-20/h7,10-11,15H,2-6,8-9H2,1H3,(H,16,17,18)
InChIKeyYVCDAWAFQZGZDV-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.24
Rot. Bonds5

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

5-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 80546138) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID80546138
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name5-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCNCC1CCN(Cc2cc(=O)n3[nH]cnc3n2)CC1
InChIInChI=1S/C14H22N6O/c1-2-15-8-11-3-5-19(6-4-11)9-12-7-13(21)20-14(18-12)16-10-17-20/h7,10-11,15H,2-6,8-9H2,1H3,(H,16,17,18)
InChIKeyYVCDAWAFQZGZDV-UHFFFAOYSA-N
XLogP0.24
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 ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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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
5-methyl-2-[3-(4-methylpiperazin-1-yl)propylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;dihydrochloride
CID 169424325
(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-methyl-2-piperidin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 51580214
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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 80546138) is 5-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCNCC1CCN(Cc2cc(=O)n3[nH]cnc3n2)CC1.
What is the InChIKey of 5-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YVCDAWAFQZGZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-2-15-8-11-3-5-19(6-4-11)9-12-7-13(21)20-14(18-12)16-10-17-20/h7,10-11,15H,2-6,8-9H2,1H3,(H,16,17,18).
What are the key properties of 5-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 290.37 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 80546138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).