7-methyl-N-[1-(2-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C16H17N5O — CID 18082474

About 7-methyl-N-[1-(2-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

7-methyl-N-[1-(2-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 18082474) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 7-methyl-N-[1-(2-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 7-methyl-N-[1-(2-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 18082474
• Molecular Formula: C16H17N5O
• Molecular Weight: 295.35 g/mol
• Exact Mass: 295.14
• IUPAC Name: 7-methyl-N-[1-(2-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1ccccc1C(C)NC(=O)c1nc2nccc(C)n2n1
• InChI: InChI=1S/C16H17N5O/c1-10-6-4-5-7-13(10)12(3)18-15(22)14-19-16-17-9-8-11(2)21(16)20-14/h4-9,12H,1-3H3,(H,18,22)
• InChIKey: RQKMMMZMPZCTPC-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	295.35
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[1-(2-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of 7-methyl-N-[1-(2-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 18082474) is 7-methyl-N-[1-(2-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for 7-methyl-N-[1-(2-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for 7-methyl-N-[1-(2-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccccc1C(C)NC(=O)c1nc2nccc(C)n2n1.

What is the InChIKey of 7-methyl-N-[1-(2-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is RQKMMMZMPZCTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-10-6-4-5-7-13(10)12(3)18-15(22)14-19-16-17-9-8-11(2)21(16)20-14/h4-9,12H,1-3H3,(H,18,22).

What are the key properties of 7-methyl-N-[1-(2-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

7-methyl-N-[1-(2-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-N-[1-(2-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 18082474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).