N-butyl-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide

C19H23N5O — CID 50749194

About N-butyl-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide

N-butyl-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide (PubChem CID 50749194) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-butyl-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-butyl-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
• PubChem CID: 50749194
• Molecular Formula: C19H23N5O
• Molecular Weight: 337.43 g/mol
• Exact Mass: 337.19
• IUPAC Name: N-butyl-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
• SMILES: CCCCN(Cc1nc2nc(C)cc(C)n2n1)C(=O)c1ccccc1
• InChI: InChI=1S/C19H23N5O/c1-4-5-11-23(18(25)16-9-7-6-8-10-16)13-17-21-19-20-14(2)12-15(3)24(19)22-17/h6-10,12H,4-5,11,13H2,1-3H3
• InChIKey: DJRUPAIAAXTPNC-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 63.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.43
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide?

The IUPAC name of N-butyl-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide (CID 50749194) is N-butyl-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide.

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

The canonical SMILES for N-butyl-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide is CCCCN(Cc1nc2nc(C)cc(C)n2n1)C(=O)c1ccccc1.

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

The InChIKey is DJRUPAIAAXTPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-4-5-11-23(18(25)16-9-7-6-8-10-16)13-17-21-19-20-14(2)12-15(3)24(19)22-17/h6-10,12H,4-5,11,13H2,1-3H3.

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

N-butyl-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide has a molecular weight of 337.43 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide is sourced from PubChem (CID 50749194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).