N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide

C15H23N7O3 — CID 91777461

About N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide

N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 91777461) has the molecular formula C15H23N7O3 and a molecular weight of 349.40 g/mol. Its IUPAC name is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
• PubChem CID: 91777461
• Molecular Formula: C15H23N7O3
• Molecular Weight: 349.40 g/mol
• Exact Mass: 349.19
• IUPAC Name: N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
• SMILES: CN(C)Cc1nnc(C2CC(NC(=O)CN3C(=O)CNC3=O)C2)n1C
• InChI: InChI=1S/C15H23N7O3/c1-20(2)7-11-18-19-14(21(11)3)9-4-10(5-9)17-12(23)8-22-13(24)6-16-15(22)25/h9-10H,4-8H2,1-3H3,(H,16,25)(H,17,23)
• InChIKey: WXGMIEBDHRYVQW-UHFFFAOYSA-N
• XLogP: -1.21
• TPSA: 112.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.40
LogP ≤ 5	-1.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?

The IUPAC name of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide (CID 91777461) is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide.

What is the SMILES notation for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?

The canonical SMILES for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide is CN(C)Cc1nnc(C2CC(NC(=O)CN3C(=O)CNC3=O)C2)n1C.

What is the InChIKey of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?

The InChIKey is WXGMIEBDHRYVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O3/c1-20(2)7-11-18-19-14(21(11)3)9-4-10(5-9)17-12(23)8-22-13(24)6-16-15(22)25/h9-10H,4-8H2,1-3H3,(H,16,25)(H,17,23).

What are the key properties of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?

N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 349.40 g/mol, XLogP of -1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 91777461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).