N-hydroxy-6-(4-pyridin-2-yltriazol-1-yl)hexanamide

C13H17N5O2 — CID 25014638

IUPACN-hydroxy-6-(4-pyridin-2-yltriazol-1-yl)hexanamide
SMILESO=C(CCCCCn1cc(-c2ccccn2)nn1)NO
InChIInChI=1S/C13H17N5O2/c19-13(16-20)7-2-1-5-9-18-10-12(15-17-18)11-6-3-4-8-14-11/h3-4,6,8,10,20H,1-2,5,7,9H2,(H,16,19)
InChIKeyGTLHXYFEKZCSHL-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.41
Rot. Bonds7

About N-hydroxy-6-(4-pyridin-2-yltriazol-1-yl)hexanamide

N-hydroxy-6-(4-pyridin-2-yltriazol-1-yl)hexanamide (PubChem CID 25014638) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-hydroxy-6-(4-pyridin-2-yltriazol-1-yl)hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-(4-pyridin-2-yltriazol-1-yl)hexanamide
PubChem CID25014638
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-hydroxy-6-(4-pyridin-2-yltriazol-1-yl)hexanamide
SMILESO=C(CCCCCn1cc(-c2ccccn2)nn1)NO
InChIInChI=1S/C13H17N5O2/c19-13(16-20)7-2-1-5-9-18-10-12(15-17-18)11-6-3-4-8-14-11/h3-4,6,8,10,20H,1-2,5,7,9H2,(H,16,19)
InChIKeyGTLHXYFEKZCSHL-UHFFFAOYSA-N
XLogP1.41
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.41
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 N-hydroxy-6-(4-pyridin-2-yltriazol-1-yl)hexanamide?
The IUPAC name of N-hydroxy-6-(4-pyridin-2-yltriazol-1-yl)hexanamide (CID 25014638) is N-hydroxy-6-(4-pyridin-2-yltriazol-1-yl)hexanamide.
What is the SMILES notation for N-hydroxy-6-(4-pyridin-2-yltriazol-1-yl)hexanamide?
The canonical SMILES for N-hydroxy-6-(4-pyridin-2-yltriazol-1-yl)hexanamide is O=C(CCCCCn1cc(-c2ccccn2)nn1)NO.
What is the InChIKey of N-hydroxy-6-(4-pyridin-2-yltriazol-1-yl)hexanamide?
The InChIKey is GTLHXYFEKZCSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c19-13(16-20)7-2-1-5-9-18-10-12(15-17-18)11-6-3-4-8-14-11/h3-4,6,8,10,20H,1-2,5,7,9H2,(H,16,19).
What are the key properties of N-hydroxy-6-(4-pyridin-2-yltriazol-1-yl)hexanamide?
N-hydroxy-6-(4-pyridin-2-yltriazol-1-yl)hexanamide has a molecular weight of 275.31 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-(4-pyridin-2-yltriazol-1-yl)hexanamide is sourced from PubChem (CID 25014638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).