3-[(dimethylamino)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol

C21H24N8O — CID 59341810

About 3-[(dimethylamino)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol

3-[(dimethylamino)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol (PubChem CID 59341810) has the molecular formula C21H24N8O and a molecular weight of 404.48 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: 3-[(dimethylamino)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol
• PubChem CID: 59341810
• Molecular Formula: C21H24N8O
• Molecular Weight: 404.48 g/mol
• Exact Mass: 404.21
• IUPAC Name: 3-[(dimethylamino)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol
• SMILES: CN(C)CC1(O)CCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)C1
• InChI: InChI=1S/C21H24N8O/c1-27(2)13-21(30)7-9-28(14-21)18-11-23-19-20(24-18)29(26-25-19)12-15-5-6-17-16(10-15)4-3-8-22-17/h3-6,8,10-11,30H,7,9,12-14H2,1-2H3
• InChIKey: KLDXAXPPIOTGIU-UHFFFAOYSA-N
• XLogP: 1.32
• TPSA: 96.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.48
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol?

The IUPAC name of 3-[(dimethylamino)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol (CID 59341810) is 3-[(dimethylamino)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol.

What is the SMILES notation for 3-[(dimethylamino)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol?

The canonical SMILES for 3-[(dimethylamino)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol is CN(C)CC1(O)CCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)C1.

What is the InChIKey of 3-[(dimethylamino)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol?

The InChIKey is KLDXAXPPIOTGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O/c1-27(2)13-21(30)7-9-28(14-21)18-11-23-19-20(24-18)29(26-25-19)12-15-5-6-17-16(10-15)4-3-8-22-17/h3-6,8,10-11,30H,7,9,12-14H2,1-2H3.

What are the key properties of 3-[(dimethylamino)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol?

3-[(dimethylamino)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol has a molecular weight of 404.48 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(dimethylamino)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 59341810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).