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

C16H16ClN5O2 — CID 110885459

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

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 110885459) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 110885459
• Molecular Formula: C16H16ClN5O2
• Molecular Weight: 345.79 g/mol
• Exact Mass: 345.10
• IUPAC Name: N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1cc(C)n2nc(C(=O)NCC(O)c3ccc(Cl)cc3)nc2n1
• InChI: InChI=1S/C16H16ClN5O2/c1-9-7-10(2)22-16(19-9)20-14(21-22)15(24)18-8-13(23)11-3-5-12(17)6-4-11/h3-7,13,23H,8H2,1-2H3,(H,18,24)
• InChIKey: COFIZKQOGNTKFD-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 92.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.79
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 110885459) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

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

The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)NCC(O)c3ccc(Cl)cc3)nc2n1.

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

The InChIKey is COFIZKQOGNTKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-9-7-10(2)22-16(19-9)20-14(21-22)15(24)18-8-13(23)11-3-5-12(17)6-4-11/h3-7,13,23H,8H2,1-2H3,(H,18,24).

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

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 345.79 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 110885459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).