1-[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone

C16H21N5O2 — CID 118739575

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

1-[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone (PubChem CID 118739575) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone.

Molecular Properties

• Compound Name: 1-[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
• PubChem CID: 118739575
• Molecular Formula: C16H21N5O2
• Molecular Weight: 315.38 g/mol
• Exact Mass: 315.17
• IUPAC Name: 1-[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
• SMILES: CCn1nnc2c1C(COC)CN(C(=O)Cc1ccccn1)C2
• InChI: InChI=1S/C16H21N5O2/c1-3-21-16-12(11-23-2)9-20(10-14(16)18-19-21)15(22)8-13-6-4-5-7-17-13/h4-7,12H,3,8-11H2,1-2H3
• InChIKey: JUOFBOMIPVONEL-UHFFFAOYSA-N
• XLogP: 1.01
• TPSA: 73.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.38
LogP ≤ 5	1.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone?

The IUPAC name of 1-[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone (CID 118739575) is 1-[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone.

What is the SMILES notation for 1-[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone?

The canonical SMILES for 1-[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone is CCn1nnc2c1C(COC)CN(C(=O)Cc1ccccn1)C2.

What is the InChIKey of 1-[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone?

The InChIKey is JUOFBOMIPVONEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-3-21-16-12(11-23-2)9-20(10-14(16)18-19-21)15(22)8-13-6-4-5-7-17-13/h4-7,12H,3,8-11H2,1-2H3.

What are the key properties of 1-[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone?

1-[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone has a molecular weight of 315.38 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 118739575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).