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

C18H24N4O2 — CID 131694560

IUPAC1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(4-methylphenyl)ethanone
SMILESCCOCc1nnc2n1CCN(C(=O)Cc1ccc(C)cc1)C2C
InChIInChI=1S/C18H24N4O2/c1-4-24-12-16-19-20-18-14(3)21(9-10-22(16)18)17(23)11-15-7-5-13(2)6-8-15/h5-8,14H,4,9-12H2,1-3H3
InChIKeyLNNTXXXVGVGBIC-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.27
Rot. Bonds5

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

1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(4-methylphenyl)ethanone (PubChem CID 131694560) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(4-methylphenyl)ethanone
PubChem CID131694560
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(4-methylphenyl)ethanone
SMILESCCOCc1nnc2n1CCN(C(=O)Cc1ccc(C)cc1)C2C
InChIInChI=1S/C18H24N4O2/c1-4-24-12-16-19-20-18-14(3)21(9-10-22(16)18)17(23)11-15-7-5-13(2)6-8-15/h5-8,14H,4,9-12H2,1-3H3
InChIKeyLNNTXXXVGVGBIC-UHFFFAOYSA-N
XLogP2.27
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(4-methylphenyl)ethanone (CID 131694560) is 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(4-methylphenyl)ethanone is CCOCc1nnc2n1CCN(C(=O)Cc1ccc(C)cc1)C2C.
What is the InChIKey of 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is LNNTXXXVGVGBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-24-12-16-19-20-18-14(3)21(9-10-22(16)18)17(23)11-15-7-5-13(2)6-8-15/h5-8,14H,4,9-12H2,1-3H3.
What are the key properties of 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(4-methylphenyl)ethanone?
1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 328.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 131694560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).