2-methoxy-1-[3-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone

C14H17N5O3 — CID 97405256

IUPAC2-methoxy-1-[3-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
SMILESCOCC(=O)N1CCn2c(COc3ccccn3)nnc2C1
InChIInChI=1S/C14H17N5O3/c1-21-10-14(20)18-6-7-19-11(8-18)16-17-12(19)9-22-13-4-2-3-5-15-13/h2-5H,6-10H2,1H3
InChIKeyMZDGGKQELXRZBH-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.24
Rot. Bonds5

About 2-methoxy-1-[3-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone

2-methoxy-1-[3-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone (PubChem CID 97405256) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-methoxy-1-[3-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[3-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
PubChem CID97405256
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name2-methoxy-1-[3-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
SMILESCOCC(=O)N1CCn2c(COc3ccccn3)nnc2C1
InChIInChI=1S/C14H17N5O3/c1-21-10-14(20)18-6-7-19-11(8-18)16-17-12(19)9-22-13-4-2-3-5-15-13/h2-5H,6-10H2,1H3
InChIKeyMZDGGKQELXRZBH-UHFFFAOYSA-N
XLogP0.24
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-oxolan-2-yl]-[3-(pyridin-2-yloxymethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]methanone
CID 97405403
7-(5-fluoropyrimidin-2-yl)-3-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155855357
1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-phenylethoxy)ethanone
CID 56778787
3-(pyridin-2-yloxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2,2,2-trifluoroacetic acid
CID 171694392
(5,6-dimethylpyrimidin-4-yl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 131689422
(3-methylcyclobutyl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 131689816
(1-methyl-1,2,4-triazol-3-yl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 131690044
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methoxyethanone
CID 64592092
7-[(5-methylthiophen-2-yl)methyl]-3-(pyridin-2-yloxymethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 171693929
1-(3,5-dimethylpiperidin-1-yl)-2-pyridin-2-yloxyethanone
CID 112788689
[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 164692614
3-amino-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one
CID 20628245

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-methoxy-1-[3-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone (CID 97405256) is 2-methoxy-1-[3-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[3-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[3-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone is COCC(=O)N1CCn2c(COc3ccccn3)nnc2C1.
What is the InChIKey of 2-methoxy-1-[3-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The InChIKey is MZDGGKQELXRZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-21-10-14(20)18-6-7-19-11(8-18)16-17-12(19)9-22-13-4-2-3-5-15-13/h2-5H,6-10H2,1H3.
What are the key properties of 2-methoxy-1-[3-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
2-methoxy-1-[3-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone has a molecular weight of 303.32 g/mol, XLogP of 0.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 97405256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).