N-hydroxy-6-(4-phenyltriazol-1-yl)hexanamide

C14H18N4O2 — CID 25014636

IUPACN-hydroxy-6-(4-phenyltriazol-1-yl)hexanamide
SMILESO=C(CCCCCn1cc(-c2ccccc2)nn1)NO
InChIInChI=1S/C14H18N4O2/c19-14(16-20)9-5-2-6-10-18-11-13(15-17-18)12-7-3-1-4-8-12/h1,3-4,7-8,11,20H,2,5-6,9-10H2,(H,16,19)
InChIKeyMDPVMJQPBSSYQH-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.01
Rot. Bonds7

About N-hydroxy-6-(4-phenyltriazol-1-yl)hexanamide

N-hydroxy-6-(4-phenyltriazol-1-yl)hexanamide (PubChem CID 25014636) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-hydroxy-6-(4-phenyltriazol-1-yl)hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-(4-phenyltriazol-1-yl)hexanamide
PubChem CID25014636
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-hydroxy-6-(4-phenyltriazol-1-yl)hexanamide
SMILESO=C(CCCCCn1cc(-c2ccccc2)nn1)NO
InChIInChI=1S/C14H18N4O2/c19-14(16-20)9-5-2-6-10-18-11-13(15-17-18)12-7-3-1-4-8-12/h1,3-4,7-8,11,20H,2,5-6,9-10H2,(H,16,19)
InChIKeyMDPVMJQPBSSYQH-UHFFFAOYSA-N
XLogP2.01
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.01
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-phenyltriazol-1-yl)hexanamide?
The IUPAC name of N-hydroxy-6-(4-phenyltriazol-1-yl)hexanamide (CID 25014636) is N-hydroxy-6-(4-phenyltriazol-1-yl)hexanamide.
What is the SMILES notation for N-hydroxy-6-(4-phenyltriazol-1-yl)hexanamide?
The canonical SMILES for N-hydroxy-6-(4-phenyltriazol-1-yl)hexanamide is O=C(CCCCCn1cc(-c2ccccc2)nn1)NO.
What is the InChIKey of N-hydroxy-6-(4-phenyltriazol-1-yl)hexanamide?
The InChIKey is MDPVMJQPBSSYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c19-14(16-20)9-5-2-6-10-18-11-13(15-17-18)12-7-3-1-4-8-12/h1,3-4,7-8,11,20H,2,5-6,9-10H2,(H,16,19).
What are the key properties of N-hydroxy-6-(4-phenyltriazol-1-yl)hexanamide?
N-hydroxy-6-(4-phenyltriazol-1-yl)hexanamide has a molecular weight of 274.32 g/mol, XLogP of 2.01, 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-phenyltriazol-1-yl)hexanamide is sourced from PubChem (CID 25014636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).