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

C18H21N5O2 — CID 78813142

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

N-[1-(2-methoxy-5-methylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 78813142) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2-methoxy-5-methylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 78813142
• Molecular Formula: C18H21N5O2
• Molecular Weight: 339.40 g/mol
• Exact Mass: 339.17
• IUPAC Name: N-[1-(2-methoxy-5-methylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: COc1ccc(C)cc1C(C)NC(=O)c1nc2nc(C)cc(C)n2n1
• InChI: InChI=1S/C18H21N5O2/c1-10-6-7-15(25-5)14(8-10)13(4)20-17(24)16-21-18-19-11(2)9-12(3)23(18)22-16/h6-9,13H,1-5H3,(H,20,24)
• InChIKey: CQGURPCTGVSUDX-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 81.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.40
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 78813142) is N-[1-(2-methoxy-5-methylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

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

The canonical SMILES for N-[1-(2-methoxy-5-methylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(C)cc1C(C)NC(=O)c1nc2nc(C)cc(C)n2n1.

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

The InChIKey is CQGURPCTGVSUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-10-6-7-15(25-5)14(8-10)13(4)20-17(24)16-21-18-19-11(2)9-12(3)23(18)22-16/h6-9,13H,1-5H3,(H,20,24).

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

N-[1-(2-methoxy-5-methylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-methoxy-5-methylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 78813142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).