5-N-benzyl-2-(furan-2-yl)-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine

C22H25N7O — CID 10135804

About 5-N-benzyl-2-(furan-2-yl)-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine

5-N-benzyl-2-(furan-2-yl)-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 10135804) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 5-N-benzyl-2-(furan-2-yl)-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

• Compound Name: 5-N-benzyl-2-(furan-2-yl)-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
• PubChem CID: 10135804
• Molecular Formula: C22H25N7O
• Molecular Weight: 403.49 g/mol
• Exact Mass: 403.21
• IUPAC Name: 5-N-benzyl-2-(furan-2-yl)-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
• SMILES: Nc1cc(N(CCN2CCCC2)Cc2ccccc2)nc2nc(-c3ccco3)nn12
• InChI: InChI=1S/C22H25N7O/c23-19-15-20(24-22-25-21(26-29(19)22)18-9-6-14-30-18)28(13-12-27-10-4-5-11-27)16-17-7-2-1-3-8-17/h1-3,6-9,14-15H,4-5,10-13,16,23H2
• InChIKey: MFKRNMRQFORJGC-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 88.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.49
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-2-(furan-2-yl)-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine?

The IUPAC name of 5-N-benzyl-2-(furan-2-yl)-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine (CID 10135804) is 5-N-benzyl-2-(furan-2-yl)-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine.

What is the SMILES notation for 5-N-benzyl-2-(furan-2-yl)-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine?

The canonical SMILES for 5-N-benzyl-2-(furan-2-yl)-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine is Nc1cc(N(CCN2CCCC2)Cc2ccccc2)nc2nc(-c3ccco3)nn12.

What is the InChIKey of 5-N-benzyl-2-(furan-2-yl)-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine?

The InChIKey is MFKRNMRQFORJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c23-19-15-20(24-22-25-21(26-29(19)22)18-9-6-14-30-18)28(13-12-27-10-4-5-11-27)16-17-7-2-1-3-8-17/h1-3,6-9,14-15H,4-5,10-13,16,23H2.

What are the key properties of 5-N-benzyl-2-(furan-2-yl)-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine?

5-N-benzyl-2-(furan-2-yl)-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 403.49 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-benzyl-2-(furan-2-yl)-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 10135804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).