N-[3-[7-(2,4-dichlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide

C19H15Cl2N5O — CID 3779075

About N-[3-[7-(2,4-dichlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide

N-[3-[7-(2,4-dichlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide (PubChem CID 3779075) has the molecular formula C19H15Cl2N5O and a molecular weight of 400.27 g/mol. Its IUPAC name is N-[3-[7-(2,4-dichlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[7-(2,4-dichlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide
• PubChem CID: 3779075
• Molecular Formula: C19H15Cl2N5O
• Molecular Weight: 400.27 g/mol
• Exact Mass: 399.07
• IUPAC Name: N-[3-[7-(2,4-dichlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1cccc(C2=CC(c3ccc(Cl)cc3Cl)n3ncnc3N2)c1
• InChI: InChI=1S/C19H15Cl2N5O/c1-11(27)24-14-4-2-3-12(7-14)17-9-18(26-19(25-17)22-10-23-26)15-6-5-13(20)8-16(15)21/h2-10,18H,1H3,(H,24,27)(H,22,23,25)
• InChIKey: NAKBCRUSWPQIJU-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.27
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[7-(2,4-dichlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide?

The IUPAC name of N-[3-[7-(2,4-dichlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide (CID 3779075) is N-[3-[7-(2,4-dichlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide.

What is the SMILES notation for N-[3-[7-(2,4-dichlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide?

The canonical SMILES for N-[3-[7-(2,4-dichlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2=CC(c3ccc(Cl)cc3Cl)n3ncnc3N2)c1.

What is the InChIKey of N-[3-[7-(2,4-dichlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide?

The InChIKey is NAKBCRUSWPQIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N5O/c1-11(27)24-14-4-2-3-12(7-14)17-9-18(26-19(25-17)22-10-23-26)15-6-5-13(20)8-16(15)21/h2-10,18H,1H3,(H,24,27)(H,22,23,25).

What are the key properties of N-[3-[7-(2,4-dichlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide?

N-[3-[7-(2,4-dichlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide has a molecular weight of 400.27 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[7-(2,4-dichlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide is sourced from PubChem (CID 3779075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).