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

C21H18ClN5O — CID 60548455

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

N-[2-(4-chlorophenyl)-1-phenylethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 60548455) has the molecular formula C21H18ClN5O and a molecular weight of 391.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-phenylethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-chlorophenyl)-1-phenylethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 60548455
• Molecular Formula: C21H18ClN5O
• Molecular Weight: 391.86 g/mol
• Exact Mass: 391.12
• IUPAC Name: N-[2-(4-chlorophenyl)-1-phenylethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1ccnc2nc(C(=O)NC(Cc3ccc(Cl)cc3)c3ccccc3)nn12
• InChI: InChI=1S/C21H18ClN5O/c1-14-11-12-23-21-25-19(26-27(14)21)20(28)24-18(16-5-3-2-4-6-16)13-15-7-9-17(22)10-8-15/h2-12,18H,13H2,1H3,(H,24,28)
• InChIKey: IMGQJXHKTSWOSB-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.86
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-(4-chlorophenyl)-1-phenylethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 60548455) is N-[2-(4-chlorophenyl)-1-phenylethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

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

The canonical SMILES for N-[2-(4-chlorophenyl)-1-phenylethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)NC(Cc3ccc(Cl)cc3)c3ccccc3)nn12.

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

The InChIKey is IMGQJXHKTSWOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O/c1-14-11-12-23-21-25-19(26-27(14)21)20(28)24-18(16-5-3-2-4-6-16)13-15-7-9-17(22)10-8-15/h2-12,18H,13H2,1H3,(H,24,28).

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

N-[2-(4-chlorophenyl)-1-phenylethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 391.86 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-chlorophenyl)-1-phenylethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 60548455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).