N-[(4-fluorophenyl)methyl]-2-[7-[(3-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

C21H19F2N5O3 — CID 75528744

About N-[(4-fluorophenyl)methyl]-2-[7-[(3-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[7-[(3-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide (PubChem CID 75528744) has the molecular formula C21H19F2N5O3 and a molecular weight of 427.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[7-[(3-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-2-[7-[(3-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
• PubChem CID: 75528744
• Molecular Formula: C21H19F2N5O3
• Molecular Weight: 427.41 g/mol
• Exact Mass: 427.15
• IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[7-[(3-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
• SMILES: O=C(Cn1nc2n(c1=O)CCN(Cc1cccc(F)c1)C2=O)NCc1ccc(F)cc1
• InChI: InChI=1S/C21H19F2N5O3/c22-16-6-4-14(5-7-16)11-24-18(29)13-28-21(31)27-9-8-26(20(30)19(27)25-28)12-15-2-1-3-17(23)10-15/h1-7,10H,8-9,11-13H2,(H,24,29)
• InChIKey: RSPUEJWYEBSCMM-UHFFFAOYSA-N
• XLogP: 1.30
• TPSA: 89.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.41
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[7-[(3-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[7-[(3-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide (CID 75528744) is N-[(4-fluorophenyl)methyl]-2-[7-[(3-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[7-[(3-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[7-[(3-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide is O=C(Cn1nc2n(c1=O)CCN(Cc1cccc(F)c1)C2=O)NCc1ccc(F)cc1.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[7-[(3-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?

The InChIKey is RSPUEJWYEBSCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O3/c22-16-6-4-14(5-7-16)11-24-18(29)13-28-21(31)27-9-8-26(20(30)19(27)25-28)12-15-2-1-3-17(23)10-15/h1-7,10H,8-9,11-13H2,(H,24,29).

What are the key properties of N-[(4-fluorophenyl)methyl]-2-[7-[(3-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?

N-[(4-fluorophenyl)methyl]-2-[7-[(3-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide has a molecular weight of 427.41 g/mol, XLogP of 1.30, 6 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-[7-[(3-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide is sourced from PubChem (CID 75528744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).