N-[(4-fluorophenyl)methyl]-2-(5,7,8-trimethyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide

C17H18FN5O2 — CID 71802549

About N-[(4-fluorophenyl)methyl]-2-(5,7,8-trimethyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide

N-[(4-fluorophenyl)methyl]-2-(5,7,8-trimethyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide (PubChem CID 71802549) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(5,7,8-trimethyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-2-(5,7,8-trimethyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide
• PubChem CID: 71802549
• Molecular Formula: C17H18FN5O2
• Molecular Weight: 343.36 g/mol
• Exact Mass: 343.14
• IUPAC Name: N-[(4-fluorophenyl)methyl]-2-(5,7,8-trimethyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide
• SMILES: Cc1nc(C)n2c(=O)n(CC(=O)NCc3ccc(F)cc3)nc2c1C
• InChI: InChI=1S/C17H18FN5O2/c1-10-11(2)20-12(3)23-16(10)21-22(17(23)25)9-15(24)19-8-13-4-6-14(18)7-5-13/h4-7H,8-9H2,1-3H3,(H,19,24)
• InChIKey: AELJYCSMSRGFGI-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 81.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.36
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(5,7,8-trimethyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(5,7,8-trimethyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide (CID 71802549) is N-[(4-fluorophenyl)methyl]-2-(5,7,8-trimethyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(5,7,8-trimethyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(5,7,8-trimethyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide is Cc1nc(C)n2c(=O)n(CC(=O)NCc3ccc(F)cc3)nc2c1C.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(5,7,8-trimethyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide?

The InChIKey is AELJYCSMSRGFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-10-11(2)20-12(3)23-16(10)21-22(17(23)25)9-15(24)19-8-13-4-6-14(18)7-5-13/h4-7H,8-9H2,1-3H3,(H,19,24).

What are the key properties of N-[(4-fluorophenyl)methyl]-2-(5,7,8-trimethyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide?

N-[(4-fluorophenyl)methyl]-2-(5,7,8-trimethyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide has a molecular weight of 343.36 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-2-(5,7,8-trimethyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 71802549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).