2-(5-fluoro-2-pyridinyl)-1-[3-(methoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]ethanone

C14H16FN5O2 — CID 131683008

IUPAC2-(5-fluoro-2-pyridinyl)-1-[3-(methoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESCOCc1nnn2c1CN(C(=O)Cc1ccc(F)cn1)CC2
InChIInChI=1S/C14H16FN5O2/c1-22-9-12-13-8-19(4-5-20(13)18-17-12)14(21)6-11-3-2-10(15)7-16-11/h2-3,7H,4-6,8-9H2,1H3
InChIKeyIVLXTLYZOLUADJ-UHFFFAOYSA-N
MW305.31 g/mol
LogP0.54
Rot. Bonds4

About 2-(5-fluoro-2-pyridinyl)-1-[3-(methoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]ethanone

2-(5-fluoro-2-pyridinyl)-1-[3-(methoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]ethanone (PubChem CID 131683008) has the molecular formula C14H16FN5O2 and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-1-[3-(methoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]ethanone.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-1-[3-(methoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]ethanone
PubChem CID131683008
Molecular FormulaC14H16FN5O2
Molecular Weight305.31 g/mol
Exact Mass305.13
IUPAC Name2-(5-fluoro-2-pyridinyl)-1-[3-(methoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESCOCc1nnn2c1CN(C(=O)Cc1ccc(F)cn1)CC2
InChIInChI=1S/C14H16FN5O2/c1-22-9-12-13-8-19(4-5-20(13)18-17-12)14(21)6-11-3-2-10(15)7-16-11/h2-3,7H,4-6,8-9H2,1H3
InChIKeyIVLXTLYZOLUADJ-UHFFFAOYSA-N
XLogP0.54
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-[3-(methoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]ethanone?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-[3-(methoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]ethanone (CID 131683008) is 2-(5-fluoro-2-pyridinyl)-1-[3-(methoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]ethanone.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-1-[3-(methoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]ethanone?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-1-[3-(methoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]ethanone is COCc1nnn2c1CN(C(=O)Cc1ccc(F)cn1)CC2.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-1-[3-(methoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]ethanone?
The InChIKey is IVLXTLYZOLUADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O2/c1-22-9-12-13-8-19(4-5-20(13)18-17-12)14(21)6-11-3-2-10(15)7-16-11/h2-3,7H,4-6,8-9H2,1H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-1-[3-(methoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]ethanone?
2-(5-fluoro-2-pyridinyl)-1-[3-(methoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]ethanone has a molecular weight of 305.31 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-1-[3-(methoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]ethanone is sourced from PubChem (CID 131683008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).