N-hydroxy-6-[4-(4-methylphenyl)triazol-1-yl]hexanamide

C15H20N4O2 — CID 44585348

IUPACN-hydroxy-6-[4-(4-methylphenyl)triazol-1-yl]hexanamide
SMILESCc1ccc(-c2cn(CCCCCC(=O)NO)nn2)cc1
InChIInChI=1S/C15H20N4O2/c1-12-6-8-13(9-7-12)14-11-19(18-16-14)10-4-2-3-5-15(20)17-21/h6-9,11,21H,2-5,10H2,1H3,(H,17,20)
InChIKeyJZLYRFASZIDDDD-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.32
Rot. Bonds7

About N-hydroxy-6-[4-(4-methylphenyl)triazol-1-yl]hexanamide

N-hydroxy-6-[4-(4-methylphenyl)triazol-1-yl]hexanamide (PubChem CID 44585348) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-hydroxy-6-[4-(4-methylphenyl)triazol-1-yl]hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-[4-(4-methylphenyl)triazol-1-yl]hexanamide
PubChem CID44585348
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-hydroxy-6-[4-(4-methylphenyl)triazol-1-yl]hexanamide
SMILESCc1ccc(-c2cn(CCCCCC(=O)NO)nn2)cc1
InChIInChI=1S/C15H20N4O2/c1-12-6-8-13(9-7-12)14-11-19(18-16-14)10-4-2-3-5-15(20)17-21/h6-9,11,21H,2-5,10H2,1H3,(H,17,20)
InChIKeyJZLYRFASZIDDDD-UHFFFAOYSA-N
XLogP2.32
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.32
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 N-hydroxy-6-[4-(4-methylphenyl)triazol-1-yl]hexanamide?
The IUPAC name of N-hydroxy-6-[4-(4-methylphenyl)triazol-1-yl]hexanamide (CID 44585348) is N-hydroxy-6-[4-(4-methylphenyl)triazol-1-yl]hexanamide.
What is the SMILES notation for N-hydroxy-6-[4-(4-methylphenyl)triazol-1-yl]hexanamide?
The canonical SMILES for N-hydroxy-6-[4-(4-methylphenyl)triazol-1-yl]hexanamide is Cc1ccc(-c2cn(CCCCCC(=O)NO)nn2)cc1.
What is the InChIKey of N-hydroxy-6-[4-(4-methylphenyl)triazol-1-yl]hexanamide?
The InChIKey is JZLYRFASZIDDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-12-6-8-13(9-7-12)14-11-19(18-16-14)10-4-2-3-5-15(20)17-21/h6-9,11,21H,2-5,10H2,1H3,(H,17,20).
What are the key properties of N-hydroxy-6-[4-(4-methylphenyl)triazol-1-yl]hexanamide?
N-hydroxy-6-[4-(4-methylphenyl)triazol-1-yl]hexanamide has a molecular weight of 288.35 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[4-(4-methylphenyl)triazol-1-yl]hexanamide is sourced from PubChem (CID 44585348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).