5-[1-[(4-bromophenyl)methyl]triazol-4-yl]-N-hydroxypentanamide

C14H17BrN4O2 — CID 71625573

IUPAC5-[1-[(4-bromophenyl)methyl]triazol-4-yl]-N-hydroxypentanamide
SMILESO=C(CCCCc1cn(Cc2ccc(Br)cc2)nn1)NO
InChIInChI=1S/C14H17BrN4O2/c15-12-7-5-11(6-8-12)9-19-10-13(16-18-19)3-1-2-4-14(20)17-21/h5-8,10,21H,1-4,9H2,(H,17,20)
InChIKeyFWSYBRDUVQKLRH-UHFFFAOYSA-N
MW353.22 g/mol
LogP2.31
Rot. Bonds7

About 5-[1-[(4-bromophenyl)methyl]triazol-4-yl]-N-hydroxypentanamide

5-[1-[(4-bromophenyl)methyl]triazol-4-yl]-N-hydroxypentanamide (PubChem CID 71625573) has the molecular formula C14H17BrN4O2 and a molecular weight of 353.22 g/mol. Its IUPAC name is 5-[1-[(4-bromophenyl)methyl]triazol-4-yl]-N-hydroxypentanamide.

Molecular Properties

Compound Name5-[1-[(4-bromophenyl)methyl]triazol-4-yl]-N-hydroxypentanamide
PubChem CID71625573
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name5-[1-[(4-bromophenyl)methyl]triazol-4-yl]-N-hydroxypentanamide
SMILESO=C(CCCCc1cn(Cc2ccc(Br)cc2)nn1)NO
InChIInChI=1S/C14H17BrN4O2/c15-12-7-5-11(6-8-12)9-19-10-13(16-18-19)3-1-2-4-14(20)17-21/h5-8,10,21H,1-4,9H2,(H,17,20)
InChIKeyFWSYBRDUVQKLRH-UHFFFAOYSA-N
XLogP2.31
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-bromophenyl)methyl]triazol-4-yl]-N-hydroxypentanamide?
The IUPAC name of 5-[1-[(4-bromophenyl)methyl]triazol-4-yl]-N-hydroxypentanamide (CID 71625573) is 5-[1-[(4-bromophenyl)methyl]triazol-4-yl]-N-hydroxypentanamide.
What is the SMILES notation for 5-[1-[(4-bromophenyl)methyl]triazol-4-yl]-N-hydroxypentanamide?
The canonical SMILES for 5-[1-[(4-bromophenyl)methyl]triazol-4-yl]-N-hydroxypentanamide is O=C(CCCCc1cn(Cc2ccc(Br)cc2)nn1)NO.
What is the InChIKey of 5-[1-[(4-bromophenyl)methyl]triazol-4-yl]-N-hydroxypentanamide?
The InChIKey is FWSYBRDUVQKLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2/c15-12-7-5-11(6-8-12)9-19-10-13(16-18-19)3-1-2-4-14(20)17-21/h5-8,10,21H,1-4,9H2,(H,17,20).
What are the key properties of 5-[1-[(4-bromophenyl)methyl]triazol-4-yl]-N-hydroxypentanamide?
5-[1-[(4-bromophenyl)methyl]triazol-4-yl]-N-hydroxypentanamide has a molecular weight of 353.22 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-bromophenyl)methyl]triazol-4-yl]-N-hydroxypentanamide is sourced from PubChem (CID 71625573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).