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

C18H21N5O2 — CID 26954022

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

N-[2-(2-methoxy-5-methylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 26954022) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[2-(2-methoxy-5-methylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-methoxy-5-methylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 26954022
• Molecular Formula: C18H21N5O2
• Molecular Weight: 339.40 g/mol
• Exact Mass: 339.17
• IUPAC Name: N-[2-(2-methoxy-5-methylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: COc1ccc(C)cc1CCNC(=O)c1nc2nc(C)cc(C)n2n1
• InChI: InChI=1S/C18H21N5O2/c1-11-5-6-15(25-4)14(9-11)7-8-19-17(24)16-21-18-20-12(2)10-13(3)23(18)22-16/h5-6,9-10H,7-8H2,1-4H3,(H,19,24)
• InChIKey: QHXCLDPTTQJYNU-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 81.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.40
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 26954022) is N-[2-(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-[2-(2-methoxy-5-methylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for N-[2-(2-methoxy-5-methylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(C)cc1CCNC(=O)c1nc2nc(C)cc(C)n2n1.

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

The InChIKey is QHXCLDPTTQJYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-11-5-6-15(25-4)14(9-11)7-8-19-17(24)16-21-18-20-12(2)10-13(3)23(18)22-16/h5-6,9-10H,7-8H2,1-4H3,(H,19,24).

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

N-[2-(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 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-methoxy-5-methylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 26954022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).