N-hydroxy-5-(4-phenyltriazol-1-yl)pentanamide

C13H16N4O2 — CID 44585337

IUPACN-hydroxy-5-(4-phenyltriazol-1-yl)pentanamide
SMILESO=C(CCCCn1cc(-c2ccccc2)nn1)NO
InChIInChI=1S/C13H16N4O2/c18-13(15-19)8-4-5-9-17-10-12(14-16-17)11-6-2-1-3-7-11/h1-3,6-7,10,19H,4-5,8-9H2,(H,15,18)
InChIKeyZTCDJRLFCRTGMO-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.62
Rot. Bonds6

About N-hydroxy-5-(4-phenyltriazol-1-yl)pentanamide

N-hydroxy-5-(4-phenyltriazol-1-yl)pentanamide (PubChem CID 44585337) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-hydroxy-5-(4-phenyltriazol-1-yl)pentanamide.

Molecular Properties

Compound NameN-hydroxy-5-(4-phenyltriazol-1-yl)pentanamide
PubChem CID44585337
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-hydroxy-5-(4-phenyltriazol-1-yl)pentanamide
SMILESO=C(CCCCn1cc(-c2ccccc2)nn1)NO
InChIInChI=1S/C13H16N4O2/c18-13(15-19)8-4-5-9-17-10-12(14-16-17)11-6-2-1-3-7-11/h1-3,6-7,10,19H,4-5,8-9H2,(H,15,18)
InChIKeyZTCDJRLFCRTGMO-UHFFFAOYSA-N
XLogP1.62
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.62
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-5-(4-phenyltriazol-1-yl)pentanamide?
The IUPAC name of N-hydroxy-5-(4-phenyltriazol-1-yl)pentanamide (CID 44585337) is N-hydroxy-5-(4-phenyltriazol-1-yl)pentanamide.
What is the SMILES notation for N-hydroxy-5-(4-phenyltriazol-1-yl)pentanamide?
The canonical SMILES for N-hydroxy-5-(4-phenyltriazol-1-yl)pentanamide is O=C(CCCCn1cc(-c2ccccc2)nn1)NO.
What is the InChIKey of N-hydroxy-5-(4-phenyltriazol-1-yl)pentanamide?
The InChIKey is ZTCDJRLFCRTGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-13(15-19)8-4-5-9-17-10-12(14-16-17)11-6-2-1-3-7-11/h1-3,6-7,10,19H,4-5,8-9H2,(H,15,18).
What are the key properties of N-hydroxy-5-(4-phenyltriazol-1-yl)pentanamide?
N-hydroxy-5-(4-phenyltriazol-1-yl)pentanamide has a molecular weight of 260.30 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-(4-phenyltriazol-1-yl)pentanamide is sourced from PubChem (CID 44585337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).