BWM

C₁₃H₁₆N₄O — CID 131633051

About BWM

BWM (PubChem CID 131633051) has the molecular formula C₁₃H₁₆N₄O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[[2-(3,5-dimethyl-1,2,4-triazol-4-yl)phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: BWM
• PubChem CID: 131633051
• Molecular Formula: C₁₃H₁₆N₄O
• Molecular Weight: 244.30 g/mol
• Exact Mass: 244.13
• IUPAC Name: N-[[2-(3,5-dimethyl-1,2,4-triazol-4-yl)phenyl]methyl]acetamide
• SMILES: CC(=O)NCc1ccccc1-n1c(C)nnc1C
• InChI: InChI=1S/C13H16N4O/c1-9-15-16-10(2)17(9)13-7-5-4-6-12(13)8-14-11(3)18/h4-7H,8H2,1-3H3,(H,14,18)
• InChIKey: FLTCDBPTYKZRMD-UHFFFAOYSA-N
• XLogP: 1.52
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	244.30
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of BWM?

The IUPAC name of BWM (CID 131633051) is N-[[2-(3,5-dimethyl-1,2,4-triazol-4-yl)phenyl]methyl]acetamide.

What is the SMILES notation for BWM?

The canonical SMILES for BWM is CC(=O)NCc1ccccc1-n1c(C)nnc1C.

What is the InChIKey of BWM?

The InChIKey is FLTCDBPTYKZRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-15-16-10(2)17(9)13-7-5-4-6-12(13)8-14-11(3)18/h4-7H,8H2,1-3H3,(H,14,18).

What are the key properties of BWM?

BWM has a molecular weight of 244.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for BWM is sourced from PubChem (CID 131633051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 131633051 — identifiers, structure, computed properties (public domain)

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