6-[4-(2,6-dimethoxyphenyl)triazol-1-yl]-N-hydroxyhexanamide

C16H22N4O4 — CID 44585259

IUPAC6-[4-(2,6-dimethoxyphenyl)triazol-1-yl]-N-hydroxyhexanamide
SMILESCOc1cccc(OC)c1-c1cn(CCCCCC(=O)NO)nn1
InChIInChI=1S/C16H22N4O4/c1-23-13-7-6-8-14(24-2)16(13)12-11-20(19-17-12)10-5-3-4-9-15(21)18-22/h6-8,11,22H,3-5,9-10H2,1-2H3,(H,18,21)
InChIKeySOWMPEPQTOSDTL-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.03
Rot. Bonds9

About 6-[4-(2,6-dimethoxyphenyl)triazol-1-yl]-N-hydroxyhexanamide

6-[4-(2,6-dimethoxyphenyl)triazol-1-yl]-N-hydroxyhexanamide (PubChem CID 44585259) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-[4-(2,6-dimethoxyphenyl)triazol-1-yl]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[4-(2,6-dimethoxyphenyl)triazol-1-yl]-N-hydroxyhexanamide
PubChem CID44585259
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name6-[4-(2,6-dimethoxyphenyl)triazol-1-yl]-N-hydroxyhexanamide
SMILESCOc1cccc(OC)c1-c1cn(CCCCCC(=O)NO)nn1
InChIInChI=1S/C16H22N4O4/c1-23-13-7-6-8-14(24-2)16(13)12-11-20(19-17-12)10-5-3-4-9-15(21)18-22/h6-8,11,22H,3-5,9-10H2,1-2H3,(H,18,21)
InChIKeySOWMPEPQTOSDTL-UHFFFAOYSA-N
XLogP2.03
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 6-[4-(2,6-dimethoxyphenyl)triazol-1-yl]-N-hydroxyhexanamide?
The IUPAC name of 6-[4-(2,6-dimethoxyphenyl)triazol-1-yl]-N-hydroxyhexanamide (CID 44585259) is 6-[4-(2,6-dimethoxyphenyl)triazol-1-yl]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[4-(2,6-dimethoxyphenyl)triazol-1-yl]-N-hydroxyhexanamide?
The canonical SMILES for 6-[4-(2,6-dimethoxyphenyl)triazol-1-yl]-N-hydroxyhexanamide is COc1cccc(OC)c1-c1cn(CCCCCC(=O)NO)nn1.
What is the InChIKey of 6-[4-(2,6-dimethoxyphenyl)triazol-1-yl]-N-hydroxyhexanamide?
The InChIKey is SOWMPEPQTOSDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-23-13-7-6-8-14(24-2)16(13)12-11-20(19-17-12)10-5-3-4-9-15(21)18-22/h6-8,11,22H,3-5,9-10H2,1-2H3,(H,18,21).
What are the key properties of 6-[4-(2,6-dimethoxyphenyl)triazol-1-yl]-N-hydroxyhexanamide?
6-[4-(2,6-dimethoxyphenyl)triazol-1-yl]-N-hydroxyhexanamide has a molecular weight of 334.38 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,6-dimethoxyphenyl)triazol-1-yl]-N-hydroxyhexanamide is sourced from PubChem (CID 44585259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).