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

C20H23N5O — CID 71876730

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

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-phenylcyclopropyl)methyl]propanamide (PubChem CID 71876730) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-phenylcyclopropyl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-phenylcyclopropyl)methyl]propanamide
• PubChem CID: 71876730
• Molecular Formula: C20H23N5O
• Molecular Weight: 349.44 g/mol
• Exact Mass: 349.19
• IUPAC Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-phenylcyclopropyl)methyl]propanamide
• SMILES: Cc1nc2ncnn2c(C)c1CCC(=O)NCC1CC1c1ccccc1
• InChI: InChI=1S/C20H23N5O/c1-13-17(14(2)25-20(24-13)22-12-23-25)8-9-19(26)21-11-16-10-18(16)15-6-4-3-5-7-15/h3-7,12,16,18H,8-11H2,1-2H3,(H,21,26)
• InChIKey: JNQKAZZCBCYSPB-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.44
LogP ≤ 5	2.59
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-[(2-phenylcyclopropyl)methyl]propanamide?

The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-phenylcyclopropyl)methyl]propanamide (CID 71876730) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-phenylcyclopropyl)methyl]propanamide.

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

The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-phenylcyclopropyl)methyl]propanamide is Cc1nc2ncnn2c(C)c1CCC(=O)NCC1CC1c1ccccc1.

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

The InChIKey is JNQKAZZCBCYSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-17(14(2)25-20(24-13)22-12-23-25)8-9-19(26)21-11-16-10-18(16)15-6-4-3-5-7-15/h3-7,12,16,18H,8-11H2,1-2H3,(H,21,26).

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

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-phenylcyclopropyl)methyl]propanamide has a molecular weight of 349.44 g/mol, XLogP of 2.59, 6 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-[(2-phenylcyclopropyl)methyl]propanamide is sourced from PubChem (CID 71876730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).