N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C20H28N6 — CID 126458706

IUPACN-[3-(2-ethylpiperidin-1-yl)propyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCC1CCCCN1CCCNc1nc2ccccc2n2c(C)nnc12
InChIInChI=1S/C20H28N6/c1-3-16-9-6-7-13-25(16)14-8-12-21-19-20-24-23-15(2)26(20)18-11-5-4-10-17(18)22-19/h4-5,10-11,16H,3,6-9,12-14H2,1-2H3,(H,21,22)
InChIKeyZLIFTFYGNZDJRI-UHFFFAOYSA-N
MW352.49 g/mol
LogP3.65
Rot. Bonds6

About N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 126458706) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidin-1-yl)propyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID126458706
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC NameN-[3-(2-ethylpiperidin-1-yl)propyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCC1CCCCN1CCCNc1nc2ccccc2n2c(C)nnc12
InChIInChI=1S/C20H28N6/c1-3-16-9-6-7-13-25(16)14-8-12-21-19-20-24-23-15(2)26(20)18-11-5-4-10-17(18)22-19/h4-5,10-11,16H,3,6-9,12-14H2,1-2H3,(H,21,22)
InChIKeyZLIFTFYGNZDJRI-UHFFFAOYSA-N
XLogP3.65
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine with MolForge

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Related Compounds

1[2(3Fluorophenyl)5H,6H,7H,8Hpyrazolo[3,2b]quinazolin9yl]piperazine (Inh 6)
CID 1441765
US8969376, 1.003 (HCl)
CID 53374070
2-(3-methylquinoxalin-2-yl)-5-pyrrolidin-1-yl-N-(tetrahydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53374069
1-((2-(7-fluoro-3-methylquinoxalin-2-yl)-5-((3R)-3-fluoropyrrolidin-1-yl)pyrazolo(1,5-a)pyrimidin-7-yl)amino)-2-methylpropan-2-ol
CID 53374175
1-({2-(7-fluoro-3-methylquinoxalin-2-yl)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)-2-methylpropan-2-ol hydrochloride
CID 71074083
N-cyclohexyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 802045
4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-methyl[1,2,4]triazolo[4,3-a]quinoxaline
CID 3968241
[1,2,4]Triazolo[4,3-a]quinoxalin-4-amine, 8-chloro-N-(2-methylcyclohexyl)-
CID 20889067
1-Methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 399097
Diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl-amine
CID 654516
Imidazo[1,2-b]pyridazine deriv. 3
CID 6539042
2,3-Dimethyl-6-(2-(6-(pyrrolidin-1-yl)pyridin-2-yl)ethyl)imidazo[1,2-b]pyridazine
CID 72706863

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 126458706) is N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CCC1CCCCN1CCCNc1nc2ccccc2n2c(C)nnc12.
What is the InChIKey of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is ZLIFTFYGNZDJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-3-16-9-6-7-13-25(16)14-8-12-21-19-20-24-23-15(2)26(20)18-11-5-4-10-17(18)22-19/h4-5,10-11,16H,3,6-9,12-14H2,1-2H3,(H,21,22).
What are the key properties of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 352.49 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 126458706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).