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

C19H20N8O — CID 47049355

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

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide (PubChem CID 47049355) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide
• PubChem CID: 47049355
• Molecular Formula: C19H20N8O
• Molecular Weight: 376.42 g/mol
• Exact Mass: 376.18
• IUPAC Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide
• SMILES: Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc(-n2ccnc2C)nc1
• InChI: InChI=1S/C19H20N8O/c1-12-16(13(2)27-19(24-12)22-11-23-27)5-7-18(28)25-15-4-6-17(21-10-15)26-9-8-20-14(26)3/h4,6,8-11H,5,7H2,1-3H3,(H,25,28)
• InChIKey: RXPDXVQNXPEOCQ-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 102.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.42
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide (CID 47049355) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide.

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

The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide is Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc(-n2ccnc2C)nc1.

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

The InChIKey is RXPDXVQNXPEOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O/c1-12-16(13(2)27-19(24-12)22-11-23-27)5-7-18(28)25-15-4-6-17(21-10-15)26-9-8-20-14(26)3/h4,6,8-11H,5,7H2,1-3H3,(H,25,28).

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

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide has a molecular weight of 376.42 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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-[6-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide is sourced from PubChem (CID 47049355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).