6-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-N-hydroxyhexanamide

C16H23N5O2 — CID 25068428

IUPAC6-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-N-hydroxyhexanamide
SMILESCN(C)c1ccc(-c2cn(CCCCCC(=O)NO)nn2)cc1
InChIInChI=1S/C16H23N5O2/c1-20(2)14-9-7-13(8-10-14)15-12-21(19-17-15)11-5-3-4-6-16(22)18-23/h7-10,12,23H,3-6,11H2,1-2H3,(H,18,22)
InChIKeyZOMJMENPBZNACI-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.08
Rot. Bonds8

About 6-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-N-hydroxyhexanamide

6-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-N-hydroxyhexanamide (PubChem CID 25068428) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 6-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-N-hydroxyhexanamide
PubChem CID25068428
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name6-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-N-hydroxyhexanamide
SMILESCN(C)c1ccc(-c2cn(CCCCCC(=O)NO)nn2)cc1
InChIInChI=1S/C16H23N5O2/c1-20(2)14-9-7-13(8-10-14)15-12-21(19-17-15)11-5-3-4-6-16(22)18-23/h7-10,12,23H,3-6,11H2,1-2H3,(H,18,22)
InChIKeyZOMJMENPBZNACI-UHFFFAOYSA-N
XLogP2.08
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[4-(dimethylamino)phenyl]triazol-1-yl]-N-hydroxyhexanamide?
The IUPAC name of 6-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-N-hydroxyhexanamide (CID 25068428) is 6-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-N-hydroxyhexanamide?
The canonical SMILES for 6-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-N-hydroxyhexanamide is CN(C)c1ccc(-c2cn(CCCCCC(=O)NO)nn2)cc1.
What is the InChIKey of 6-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-N-hydroxyhexanamide?
The InChIKey is ZOMJMENPBZNACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-20(2)14-9-7-13(8-10-14)15-12-21(19-17-15)11-5-3-4-6-16(22)18-23/h7-10,12,23H,3-6,11H2,1-2H3,(H,18,22).
What are the key properties of 6-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-N-hydroxyhexanamide?
6-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-N-hydroxyhexanamide has a molecular weight of 317.39 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-N-hydroxyhexanamide is sourced from PubChem (CID 25068428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).