1-(4-methylphenyl)-3-[2-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]urea

C23H24N6O3 — CID 50750433

About 1-(4-methylphenyl)-3-[2-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]urea

1-(4-methylphenyl)-3-[2-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]urea (PubChem CID 50750433) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[2-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]urea.

Molecular Properties

• Compound Name: 1-(4-methylphenyl)-3-[2-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]urea
• PubChem CID: 50750433
• Molecular Formula: C23H24N6O3
• Molecular Weight: 432.48 g/mol
• Exact Mass: 432.19
• IUPAC Name: 1-(4-methylphenyl)-3-[2-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]urea
• SMILES: Cc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3c(ncn3C(C)C)n2)cc1
• InChI: InChI=1S/C23H24N6O3/c1-15(2)28-14-24-22-25-18(12-21(30)29(22)28)13-32-20-7-5-4-6-19(20)27-23(31)26-17-10-8-16(3)9-11-17/h4-12,14-15H,13H2,1-3H3,(H2,26,27,31)
• InChIKey: AXYQXJPUWUEHRX-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 102.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.48
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[2-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]urea?

The IUPAC name of 1-(4-methylphenyl)-3-[2-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]urea (CID 50750433) is 1-(4-methylphenyl)-3-[2-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]urea.

What is the SMILES notation for 1-(4-methylphenyl)-3-[2-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]urea?

The canonical SMILES for 1-(4-methylphenyl)-3-[2-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]urea is Cc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3c(ncn3C(C)C)n2)cc1.

What is the InChIKey of 1-(4-methylphenyl)-3-[2-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]urea?

The InChIKey is AXYQXJPUWUEHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-15(2)28-14-24-22-25-18(12-21(30)29(22)28)13-32-20-7-5-4-6-19(20)27-23(31)26-17-10-8-16(3)9-11-17/h4-12,14-15H,13H2,1-3H3,(H2,26,27,31).

What are the key properties of 1-(4-methylphenyl)-3-[2-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]urea?

1-(4-methylphenyl)-3-[2-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]urea has a molecular weight of 432.48 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methylphenyl)-3-[2-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]urea is sourced from PubChem (CID 50750433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).