[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-4-ylmethanone

C19H21N5O2 — CID 131694989

IUPAC[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-4-ylmethanone
SMILESCCOCc1nnc2n1CCN(C(=O)c1ccnc3ccccc13)C2C
InChIInChI=1S/C19H21N5O2/c1-3-26-12-17-21-22-18-13(2)23(10-11-24(17)18)19(25)15-8-9-20-16-7-5-4-6-14(15)16/h4-9,13H,3,10-12H2,1-2H3
InChIKeyUAIMCWONSXZFKQ-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.58
Rot. Bonds4

About [3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-4-ylmethanone

[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-4-ylmethanone (PubChem CID 131694989) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-4-ylmethanone.

Molecular Properties

Compound Name[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-4-ylmethanone
PubChem CID131694989
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-4-ylmethanone
SMILESCCOCc1nnc2n1CCN(C(=O)c1ccnc3ccccc13)C2C
InChIInChI=1S/C19H21N5O2/c1-3-26-12-17-21-22-18-13(2)23(10-11-24(17)18)19(25)15-8-9-20-16-7-5-4-6-14(15)16/h4-9,13H,3,10-12H2,1-2H3
InChIKeyUAIMCWONSXZFKQ-UHFFFAOYSA-N
XLogP2.58
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(4-fluorophenyl)ethanone
CID 131694974
[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 131694731
ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate
CID 110694883
[6-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-quinolin-4-ylmethanone
CID 131696078
[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone
CID 97421886
[(1R,6R,9R)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-quinolin-4-ylmethanone
CID 98811723
[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-4-ylmethanone
CID 131659440
[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1-methylpyrazol-3-yl)methanone
CID 97474179
(3-bromo-4-methylpiperidin-1-yl)-quinolin-4-ylmethanone
CID 102962196
1,2-oxazolidin-2-yl(quinolin-4-yl)methanone
CID 113375772
[(4aS,7S,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-quinolin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155824187
[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylpyrazin-2-yl)methanone
CID 97421889

Frequently Asked Questions

What is the IUPAC name of [3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-4-ylmethanone?
The IUPAC name of [3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-4-ylmethanone (CID 131694989) is [3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-4-ylmethanone.
What is the SMILES notation for [3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-4-ylmethanone?
The canonical SMILES for [3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-4-ylmethanone is CCOCc1nnc2n1CCN(C(=O)c1ccnc3ccccc13)C2C.
What is the InChIKey of [3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-4-ylmethanone?
The InChIKey is UAIMCWONSXZFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-3-26-12-17-21-22-18-13(2)23(10-11-24(17)18)19(25)15-8-9-20-16-7-5-4-6-14(15)16/h4-9,13H,3,10-12H2,1-2H3.
What are the key properties of [3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-4-ylmethanone?
[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-4-ylmethanone has a molecular weight of 351.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-4-ylmethanone is sourced from PubChem (CID 131694989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).