N-(4-chlorophenyl)-3-methyl-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]butanamide

C18H20ClN5O2 — CID 46268275

About N-(4-chlorophenyl)-3-methyl-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]butanamide

N-(4-chlorophenyl)-3-methyl-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]butanamide (PubChem CID 46268275) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-methyl-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]butanamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-3-methyl-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]butanamide
• PubChem CID: 46268275
• Molecular Formula: C18H20ClN5O2
• Molecular Weight: 373.84 g/mol
• Exact Mass: 373.13
• IUPAC Name: N-(4-chlorophenyl)-3-methyl-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]butanamide
• SMILES: Cc1cc(=O)n2[nH]c(CN(C(=O)CC(C)C)c3ccc(Cl)cc3)nc2n1
• InChI: InChI=1S/C18H20ClN5O2/c1-11(2)8-16(25)23(14-6-4-13(19)5-7-14)10-15-21-18-20-12(3)9-17(26)24(18)22-15/h4-7,9,11H,8,10H2,1-3H3,(H,20,21,22)
• InChIKey: PNFZKNANNXTORC-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 83.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.84
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(4-chlorophenyl)-3-methyl-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]butanamide (CID 46268275) is N-(4-chlorophenyl)-3-methyl-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]butanamide.

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

The canonical SMILES for N-(4-chlorophenyl)-3-methyl-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]butanamide is Cc1cc(=O)n2[nH]c(CN(C(=O)CC(C)C)c3ccc(Cl)cc3)nc2n1.

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

The InChIKey is PNFZKNANNXTORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-11(2)8-16(25)23(14-6-4-13(19)5-7-14)10-15-21-18-20-12(3)9-17(26)24(18)22-15/h4-7,9,11H,8,10H2,1-3H3,(H,20,21,22).

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

N-(4-chlorophenyl)-3-methyl-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]butanamide has a molecular weight of 373.84 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-3-methyl-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]butanamide is sourced from PubChem (CID 46268275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).