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

C22H29N5O — CID 43026414

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

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]propanamide (PubChem CID 43026414) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]propanamide.

Molecular Properties

• Compound Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]propanamide
• PubChem CID: 43026414
• Molecular Formula: C22H29N5O
• Molecular Weight: 379.51 g/mol
• Exact Mass: 379.24
• IUPAC Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]propanamide
• SMILES: Cc1nc2ncnn2c(C)c1CCC(=O)NC(C)c1ccc(CC(C)C)cc1
• InChI: InChI=1S/C22H29N5O/c1-14(2)12-18-6-8-19(9-7-18)15(3)25-21(28)11-10-20-16(4)26-22-23-13-24-27(22)17(20)5/h6-9,13-15H,10-12H2,1-5H3,(H,25,28)
• InChIKey: GKYLLNWBYXGKIR-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.51
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]propanamide (CID 43026414) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]propanamide.

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

The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]propanamide is Cc1nc2ncnn2c(C)c1CCC(=O)NC(C)c1ccc(CC(C)C)cc1.

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

The InChIKey is GKYLLNWBYXGKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-14(2)12-18-6-8-19(9-7-18)15(3)25-21(28)11-10-20-16(4)26-22-23-13-24-27(22)17(20)5/h6-9,13-15H,10-12H2,1-5H3,(H,25,28).

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

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]propanamide has a molecular weight of 379.51 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 43026414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).