3-(pyridin-3-ylmethoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine

C17H19N5OS — CID 97405145

IUPAC3-(pyridin-3-ylmethoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine
SMILESc1cncc(COCc2nnn3c2CN(Cc2ccsc2)CC3)c1
InChIInChI=1S/C17H19N5OS/c1-2-14(8-18-4-1)11-23-12-16-17-10-21(5-6-22(17)20-19-16)9-15-3-7-24-13-15/h1-4,7-8,13H,5-6,9-12H2
InChIKeyGYPNCIFYNNSBNL-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.47
Rot. Bonds6

About 3-(pyridin-3-ylmethoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine

3-(pyridin-3-ylmethoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine (PubChem CID 97405145) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-(pyridin-3-ylmethoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name3-(pyridin-3-ylmethoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine
PubChem CID97405145
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name3-(pyridin-3-ylmethoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine
SMILESc1cncc(COCc2nnn3c2CN(Cc2ccsc2)CC3)c1
InChIInChI=1S/C17H19N5OS/c1-2-14(8-18-4-1)11-23-12-16-17-10-21(5-6-22(17)20-19-16)9-15-3-7-24-13-15/h1-4,7-8,13H,5-6,9-12H2
InChIKeyGYPNCIFYNNSBNL-UHFFFAOYSA-N
XLogP2.47
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylmethoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine?
The IUPAC name of 3-(pyridin-3-ylmethoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine (CID 97405145) is 3-(pyridin-3-ylmethoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine.
What is the SMILES notation for 3-(pyridin-3-ylmethoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine?
The canonical SMILES for 3-(pyridin-3-ylmethoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine is c1cncc(COCc2nnn3c2CN(Cc2ccsc2)CC3)c1.
What is the InChIKey of 3-(pyridin-3-ylmethoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine?
The InChIKey is GYPNCIFYNNSBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-2-14(8-18-4-1)11-23-12-16-17-10-21(5-6-22(17)20-19-16)9-15-3-7-24-13-15/h1-4,7-8,13H,5-6,9-12H2.
What are the key properties of 3-(pyridin-3-ylmethoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine?
3-(pyridin-3-ylmethoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine has a molecular weight of 341.44 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-ylmethoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine is sourced from PubChem (CID 97405145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).