[1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone

C18H19N5O2S — CID 118744214

IUPAC[1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone
SMILESCn1nnc2c1C(COCc1ccccn1)CN(C(=O)c1cccs1)C2
InChIInChI=1S/C18H19N5O2S/c1-22-17-13(11-25-12-14-5-2-3-7-19-14)9-23(10-15(17)20-21-22)18(24)16-6-4-8-26-16/h2-8,13H,9-12H2,1H3
InChIKeyWFPMYABKBAUZKM-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.23
Rot. Bonds5

About [1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone

[1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone (PubChem CID 118744214) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is [1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone
PubChem CID118744214
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name[1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone
SMILESCn1nnc2c1C(COCc1ccccn1)CN(C(=O)c1cccs1)C2
InChIInChI=1S/C18H19N5O2S/c1-22-17-13(11-25-12-14-5-2-3-7-19-14)9-23(10-15(17)20-21-22)18(24)16-6-4-8-26-16/h2-8,13H,9-12H2,1H3
InChIKeyWFPMYABKBAUZKM-UHFFFAOYSA-N
XLogP2.23
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone?
The IUPAC name of [1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone (CID 118744214) is [1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone is Cn1nnc2c1C(COCc1ccccn1)CN(C(=O)c1cccs1)C2.
What is the InChIKey of [1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone?
The InChIKey is WFPMYABKBAUZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-22-17-13(11-25-12-14-5-2-3-7-19-14)9-23(10-15(17)20-21-22)18(24)16-6-4-8-26-16/h2-8,13H,9-12H2,1H3.
What are the key properties of [1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone?
[1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone has a molecular weight of 369.45 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 118744214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).