N-benzyl-N-(1-cyclopropylethyl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

C22H27N5O — CID 55557536

About N-benzyl-N-(1-cyclopropylethyl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

N-benzyl-N-(1-cyclopropylethyl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 55557536) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-benzyl-N-(1-cyclopropylethyl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

• Compound Name: N-benzyl-N-(1-cyclopropylethyl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
• PubChem CID: 55557536
• Molecular Formula: C22H27N5O
• Molecular Weight: 377.49 g/mol
• Exact Mass: 377.22
• IUPAC Name: N-benzyl-N-(1-cyclopropylethyl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
• SMILES: Cc1nc2ncnn2c(C)c1CCC(=O)N(Cc1ccccc1)C(C)C1CC1
• InChI: InChI=1S/C22H27N5O/c1-15-20(17(3)27-22(25-15)23-14-24-27)11-12-21(28)26(16(2)19-9-10-19)13-18-7-5-4-6-8-18/h4-8,14,16,19H,9-13H2,1-3H3
• InChIKey: AXSPBNXZNIQBTL-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 63.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.49
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?

The IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 55557536) is N-benzyl-N-(1-cyclopropylethyl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.

What is the SMILES notation for N-benzyl-N-(1-cyclopropylethyl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?

The canonical SMILES for N-benzyl-N-(1-cyclopropylethyl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1nc2ncnn2c(C)c1CCC(=O)N(Cc1ccccc1)C(C)C1CC1.

What is the InChIKey of N-benzyl-N-(1-cyclopropylethyl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?

The InChIKey is AXSPBNXZNIQBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-15-20(17(3)27-22(25-15)23-14-24-27)11-12-21(28)26(16(2)19-9-10-19)13-18-7-5-4-6-8-18/h4-8,14,16,19H,9-13H2,1-3H3.

What are the key properties of N-benzyl-N-(1-cyclopropylethyl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?

N-benzyl-N-(1-cyclopropylethyl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 377.49 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-(1-cyclopropylethyl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 55557536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).