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4-[[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole

C13H19N5OS — CID 131662621

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole
SMILESCOCC1CN(Cc2csc(C)n2)Cc2nnn(C)c21
InChIInChI=1S/C13H19N5OS/c1-9-14-11(8-20-9)5-18-4-10(7-19-3)13-12(6-18)15-16-17(13)2/h8,10H,4-7H2,1-3H3
InChIKeyLCZSPDLYIZBAOT-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.33
Rot. Bonds4

About 4-[[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole

4-[[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 131662621) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 4-[[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID131662621
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name4-[[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole
SMILESCOCC1CN(Cc2csc(C)n2)Cc2nnn(C)c21
InChIInChI=1S/C13H19N5OS/c1-9-14-11(8-20-9)5-18-4-10(7-19-3)13-12(6-18)15-16-17(13)2/h8,10H,4-7H2,1-3H3
InChIKeyLCZSPDLYIZBAOT-UHFFFAOYSA-N
XLogP1.33
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole (CID 131662621) is 4-[[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole is COCC1CN(Cc2csc(C)n2)Cc2nnn(C)c21.
What is the InChIKey of 4-[[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is LCZSPDLYIZBAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-9-14-11(8-20-9)5-18-4-10(7-19-3)13-12(6-18)15-16-17(13)2/h8,10H,4-7H2,1-3H3.
What are the key properties of 4-[[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole?
4-[[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 293.40 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 131662621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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