[7-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol

C17H22N4O2 — CID 16673545

About [7-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol

[7-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol (PubChem CID 16673545) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [7-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol.

Molecular Properties

• Compound Name: [7-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol
• PubChem CID: 16673545
• Molecular Formula: C17H22N4O2
• Molecular Weight: 314.39 g/mol
• Exact Mass: 314.17
• IUPAC Name: [7-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol
• SMILES: COc1cc2c(cc1CN1CCn3c(CO)nnc3C1)CCC2
• InChI: InChI=1S/C17H22N4O2/c1-23-15-8-13-4-2-3-12(13)7-14(15)9-20-5-6-21-16(10-20)18-19-17(21)11-22/h7-8,22H,2-6,9-11H2,1H3
• InChIKey: JHZKDMIFSJWLNA-UHFFFAOYSA-N
• XLogP: 1.28
• TPSA: 63.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.39
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [7-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol?

The IUPAC name of [7-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol (CID 16673545) is [7-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol.

What is the SMILES notation for [7-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol?

The canonical SMILES for [7-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol is COc1cc2c(cc1CN1CCn3c(CO)nnc3C1)CCC2.

What is the InChIKey of [7-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol?

The InChIKey is JHZKDMIFSJWLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-23-15-8-13-4-2-3-12(13)7-14(15)9-20-5-6-21-16(10-20)18-19-17(21)11-22/h7-8,22H,2-6,9-11H2,1H3.

What are the key properties of [7-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol?

[7-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol has a molecular weight of 314.39 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [7-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol is sourced from PubChem (CID 16673545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).