2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride

C15H23ClN6O — CID 119492867

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
SMILESCNC1CCCN(C(=O)Cc2nc3nc(C)cc(C)n3n2)C1.Cl
InChIInChI=1S/C15H22N6O.ClH/c1-10-7-11(2)21-15(17-10)18-13(19-21)8-14(22)20-6-4-5-12(9-20)16-3;/h7,12,16H,4-6,8-9H2,1-3H3;1H
InChIKeyQOPMOMGFBXTBPD-UHFFFAOYSA-N
MW338.84 g/mol
LogP0.92
Rot. Bonds3

About 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride (PubChem CID 119492867) has the molecular formula C15H23ClN6O and a molecular weight of 338.84 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
PubChem CID119492867
Molecular FormulaC15H23ClN6O
Molecular Weight338.84 g/mol
Exact Mass338.16
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
SMILESCNC1CCCN(C(=O)Cc2nc3nc(C)cc(C)n3n2)C1.Cl
InChIInChI=1S/C15H22N6O.ClH/c1-10-7-11(2)21-15(17-10)18-13(19-21)8-14(22)20-6-4-5-12(9-20)16-3;/h7,12,16H,4-6,8-9H2,1-3H3;1H
InChIKeyQOPMOMGFBXTBPD-UHFFFAOYSA-N
XLogP0.92
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride with MolForge

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Related Compounds

1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
CID 94030160
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
CID 94030161
N-cycloheptyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 3242709
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62534087
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]ethanone
CID 119071108
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethanone
CID 99930470
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 87025761
1-[4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55759680
2-(2,5-difluorophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119490122
N-[2-(cycloheptylamino)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
CID 119620946
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(3R)-3-methyl-3-phenylpiperidin-1-yl]ethanone
CID 97148684
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 46533250

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride (CID 119492867) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride is CNC1CCCN(C(=O)Cc2nc3nc(C)cc(C)n3n2)C1.Cl.
What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is QOPMOMGFBXTBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O.ClH/c1-10-7-11(2)21-15(17-10)18-13(19-21)8-14(22)20-6-4-5-12(9-20)16-3;/h7,12,16H,4-6,8-9H2,1-3H3;1H.
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119492867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).