N,N-dimethyl-2-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]oxyethanamine

C18H19N7O — CID 59341930

IUPACN,N-dimethyl-2-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]oxyethanamine
SMILESCN(C)CCOc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C18H19N7O/c1-24(2)8-9-26-16-11-20-17-18(21-16)25(23-22-17)12-13-5-6-15-14(10-13)4-3-7-19-15/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyXCECIQOQNJBRNC-UHFFFAOYSA-N
MW349.40 g/mol
LogP1.76
Rot. Bonds6

About N,N-dimethyl-2-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]oxyethanamine

N,N-dimethyl-2-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]oxyethanamine (PubChem CID 59341930) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]oxyethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]oxyethanamine
PubChem CID59341930
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC NameN,N-dimethyl-2-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]oxyethanamine
SMILESCN(C)CCOc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C18H19N7O/c1-24(2)8-9-26-16-11-20-17-18(21-16)25(23-22-17)12-13-5-6-15-14(10-13)4-3-7-19-15/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyXCECIQOQNJBRNC-UHFFFAOYSA-N
XLogP1.76
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Pf-04217903
CID 17754438
4-[4-(3-Quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
CID 60182389
6-((6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl)methyl)quinoline
CID 44206063
Pyrazolo pyrimidine, 5l
CID 44520816
3-(2-Phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)pyrido[2,3-b]pyrazine
CID 56682080
2-[4-[3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 59341978
4-[[4-(2-Methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine
CID 146315950
3-[5-(4-Ethylphenyl)-1-methylpyrazol-4-yl]-5-propoxy-[1,2,4]triazolo[4,3-a]pyrazine
CID 137348671
N,N-dimethyl-2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanamine
CID 45381018
1-[1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl]pyrrolidin-3-ol
CID 59341800
1-(6-Quinolinylmethyl)-1H-1,2,3-triazolo[4,5-b]pyrazin-6-amine
CID 59341811
2-methyl-1-[4-(3-quinolin-6-ylmethyl-3H-[1,2,3]triazolo[4,5-b]pyrazin-5-yl)-pyrazol-1-yl]-propan-2-ol
CID 59341845

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]oxyethanamine?
The IUPAC name of N,N-dimethyl-2-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]oxyethanamine (CID 59341930) is N,N-dimethyl-2-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]oxyethanamine.
What is the SMILES notation for N,N-dimethyl-2-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]oxyethanamine?
The canonical SMILES for N,N-dimethyl-2-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]oxyethanamine is CN(C)CCOc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1.
What is the InChIKey of N,N-dimethyl-2-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]oxyethanamine?
The InChIKey is XCECIQOQNJBRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-24(2)8-9-26-16-11-20-17-18(21-16)25(23-22-17)12-13-5-6-15-14(10-13)4-3-7-19-15/h3-7,10-11H,8-9,12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]oxyethanamine?
N,N-dimethyl-2-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]oxyethanamine has a molecular weight of 349.40 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]oxyethanamine is sourced from PubChem (CID 59341930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).