1-(2-chlorophenyl)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]urea

C15H15ClN6O — CID 6625488

About 1-(2-chlorophenyl)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]urea

1-(2-chlorophenyl)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]urea (PubChem CID 6625488) has the molecular formula C15H15ClN6O and a molecular weight of 330.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-(2-chlorophenyl)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]urea
• PubChem CID: 6625488
• Molecular Formula: C15H15ClN6O
• Molecular Weight: 330.78 g/mol
• Exact Mass: 330.10
• IUPAC Name: 1-(2-chlorophenyl)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]urea
• SMILES: Cc1cc(C)n2nc(CNC(=O)Nc3ccccc3Cl)nc2n1
• InChI: InChI=1S/C15H15ClN6O/c1-9-7-10(2)22-14(18-9)20-13(21-22)8-17-15(23)19-12-6-4-3-5-11(12)16/h3-7H,8H2,1-2H3,(H2,17,19,23)
• InChIKey: VIZKZZQVBTXBDI-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 84.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.78
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]urea?

The IUPAC name of 1-(2-chlorophenyl)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]urea (CID 6625488) is 1-(2-chlorophenyl)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]urea.

What is the SMILES notation for 1-(2-chlorophenyl)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]urea?

The canonical SMILES for 1-(2-chlorophenyl)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]urea is Cc1cc(C)n2nc(CNC(=O)Nc3ccccc3Cl)nc2n1.

What is the InChIKey of 1-(2-chlorophenyl)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]urea?

The InChIKey is VIZKZZQVBTXBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O/c1-9-7-10(2)22-14(18-9)20-13(21-22)8-17-15(23)19-12-6-4-3-5-11(12)16/h3-7H,8H2,1-2H3,(H2,17,19,23).

What are the key properties of 1-(2-chlorophenyl)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]urea?

1-(2-chlorophenyl)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]urea has a molecular weight of 330.78 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chlorophenyl)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]urea is sourced from PubChem (CID 6625488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).