2-[[5-[2-(5-fluoro-2-pyridinyl)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide

C17H21FN6O3 — CID 131683462

IUPAC2-[[5-[2-(5-fluoro-2-pyridinyl)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COCc1nnn2c1CN(C(=O)Cc1ccc(F)cn1)CC2
InChIInChI=1S/C17H21FN6O3/c1-22(2)17(26)11-27-10-14-15-9-23(5-6-24(15)21-20-14)16(25)7-13-4-3-12(18)8-19-13/h3-4,8H,5-7,9-11H2,1-2H3
InChIKeyBEJGWVUAUVXDQZ-UHFFFAOYSA-N
MW376.39 g/mol
LogP0.00
Rot. Bonds6

About 2-[[5-[2-(5-fluoro-2-pyridinyl)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide

2-[[5-[2-(5-fluoro-2-pyridinyl)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide (PubChem CID 131683462) has the molecular formula C17H21FN6O3 and a molecular weight of 376.39 g/mol. Its IUPAC name is 2-[[5-[2-(5-fluoro-2-pyridinyl)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[5-[2-(5-fluoro-2-pyridinyl)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide
PubChem CID131683462
Molecular FormulaC17H21FN6O3
Molecular Weight376.39 g/mol
Exact Mass376.17
IUPAC Name2-[[5-[2-(5-fluoro-2-pyridinyl)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COCc1nnn2c1CN(C(=O)Cc1ccc(F)cn1)CC2
InChIInChI=1S/C17H21FN6O3/c1-22(2)17(26)11-27-10-14-15-9-23(5-6-24(15)21-20-14)16(25)7-13-4-3-12(18)8-19-13/h3-4,8H,5-7,9-11H2,1-2H3
InChIKeyBEJGWVUAUVXDQZ-UHFFFAOYSA-N
XLogP0.00
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[5-[2-(5-fluoro-2-pyridinyl)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide with MolForge

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Related Compounds

1-[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 118739575
1-[4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 118740724
2-ethoxy-1-[1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone
CID 118743588
2-(dimethylamino)-1-[1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone
CID 118746147
(4-fluorophenyl)-[3-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]methanone
CID 97516997
(3-fluoro-4-methylphenyl)-[3-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]methanone
CID 97516999
2-ethoxy-1-[1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone;2,2,2-trifluoroacetic acid
CID 118743587
2-(5-fluoro-2-pyridinyl)-1-[(7R)-1-methyl-7-(2-pyrrolidin-1-ylethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone
CID 129556029
2-(5-fluoro-2-pyridinyl)-1-[(7S)-1-methyl-7-(2-pyrrolidin-1-ylethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone
CID 129556030
2-(5-fluoro-2-pyridinyl)-N-[[(6S)-3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide
CID 129558320
2-(5-fluoro-2-pyridinyl)-N-[[(6R)-3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide
CID 129558321
2-(5-fluoro-2-pyridinyl)-1-[1-methyl-7-(2-pyrrolidin-1-ylethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone
CID 131681774

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-(5-fluoro-2-pyridinyl)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[5-[2-(5-fluoro-2-pyridinyl)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide (CID 131683462) is 2-[[5-[2-(5-fluoro-2-pyridinyl)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[5-[2-(5-fluoro-2-pyridinyl)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[5-[2-(5-fluoro-2-pyridinyl)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide is CN(C)C(=O)COCc1nnn2c1CN(C(=O)Cc1ccc(F)cn1)CC2.
What is the InChIKey of 2-[[5-[2-(5-fluoro-2-pyridinyl)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide?
The InChIKey is BEJGWVUAUVXDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6O3/c1-22(2)17(26)11-27-10-14-15-9-23(5-6-24(15)21-20-14)16(25)7-13-4-3-12(18)8-19-13/h3-4,8H,5-7,9-11H2,1-2H3.
What are the key properties of 2-[[5-[2-(5-fluoro-2-pyridinyl)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide?
2-[[5-[2-(5-fluoro-2-pyridinyl)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide has a molecular weight of 376.39 g/mol, XLogP of 0.00, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-(5-fluoro-2-pyridinyl)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 131683462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).