3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzamide

C21H21N7O — CID 53046018

About 3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzamide

3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzamide (PubChem CID 53046018) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzamide.

Molecular Properties

• Compound Name: 3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzamide
• PubChem CID: 53046018
• Molecular Formula: C21H21N7O
• Molecular Weight: 387.45 g/mol
• Exact Mass: 387.18
• IUPAC Name: 3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzamide
• SMILES: CCCNC(=O)c1cccc(Nc2cc(C)nc3nc(-c4cccnc4)nn23)c1
• InChI: InChI=1S/C21H21N7O/c1-3-9-23-20(29)15-6-4-8-17(12-15)25-18-11-14(2)24-21-26-19(27-28(18)21)16-7-5-10-22-13-16/h4-8,10-13,25H,3,9H2,1-2H3,(H,23,29)
• InChIKey: XXPHNRCKJKBAFZ-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 97.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.45
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzamide?

The IUPAC name of 3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzamide (CID 53046018) is 3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzamide.

What is the SMILES notation for 3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzamide?

The canonical SMILES for 3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzamide is CCCNC(=O)c1cccc(Nc2cc(C)nc3nc(-c4cccnc4)nn23)c1.

What is the InChIKey of 3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzamide?

The InChIKey is XXPHNRCKJKBAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-3-9-23-20(29)15-6-4-8-17(12-15)25-18-11-14(2)24-21-26-19(27-28(18)21)16-7-5-10-22-13-16/h4-8,10-13,25H,3,9H2,1-2H3,(H,23,29).

What are the key properties of 3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzamide?

3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzamide has a molecular weight of 387.45 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzamide is sourced from PubChem (CID 53046018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).