2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride

C19H25ClN6OS — CID 120833117

About 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride

2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride (PubChem CID 120833117) has the molecular formula C19H25ClN6OS and a molecular weight of 420.97 g/mol. Its IUPAC name is 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride.

Molecular Properties

• Compound Name: 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride
• PubChem CID: 120833117
• Molecular Formula: C19H25ClN6OS
• Molecular Weight: 420.97 g/mol
• Exact Mass: 420.15
• IUPAC Name: 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride
• SMILES: CNC(C)CNC(=O)c1ccccc1CSc1nc2nc(C)cc(C)n2n1.Cl
• InChI: InChI=1S/C19H24N6OS.ClH/c1-12-9-14(3)25-18(22-12)23-19(24-25)27-11-15-7-5-6-8-16(15)17(26)21-10-13(2)20-4;/h5-9,13,20H,10-11H2,1-4H3,(H,21,26);1H
• InChIKey: FHWKONAMYQJNLJ-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 84.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.97
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride?

The IUPAC name of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride (CID 120833117) is 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride.

What is the SMILES notation for 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride?

The canonical SMILES for 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride is CNC(C)CNC(=O)c1ccccc1CSc1nc2nc(C)cc(C)n2n1.Cl.

What is the InChIKey of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride?

The InChIKey is FHWKONAMYQJNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6OS.ClH/c1-12-9-14(3)25-18(22-12)23-19(24-25)27-11-15-7-5-6-8-16(15)17(26)21-10-13(2)20-4;/h5-9,13,20H,10-11H2,1-4H3,(H,21,26);1H.

What are the key properties of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride?

2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride has a molecular weight of 420.97 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 120833117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).