N-hydroxy-2-(4-pentyltriazol-1-yl)acetamide

C9H16N4O2 — CID 70684402

IUPACN-hydroxy-2-(4-pentyltriazol-1-yl)acetamide
SMILESCCCCCc1cn(CC(=O)NO)nn1
InChIInChI=1S/C9H16N4O2/c1-2-3-4-5-8-6-13(12-10-8)7-9(14)11-15/h6,15H,2-5,7H2,1H3,(H,11,14)
InChIKeyGHUODOMRJSYGCH-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.52
Rot. Bonds6

About N-hydroxy-2-(4-pentyltriazol-1-yl)acetamide

N-hydroxy-2-(4-pentyltriazol-1-yl)acetamide (PubChem CID 70684402) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-hydroxy-2-(4-pentyltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-pentyltriazol-1-yl)acetamide
PubChem CID70684402
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-hydroxy-2-(4-pentyltriazol-1-yl)acetamide
SMILESCCCCCc1cn(CC(=O)NO)nn1
InChIInChI=1S/C9H16N4O2/c1-2-3-4-5-8-6-13(12-10-8)7-9(14)11-15/h6,15H,2-5,7H2,1H3,(H,11,14)
InChIKeyGHUODOMRJSYGCH-UHFFFAOYSA-N
XLogP0.52
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.52
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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Related Compounds

YU-Mono-GK-DP
CID 16129555
2-(4-Pentyltriazol-1-yl)acetamide
CID 70692869
2-[4-(4-Aminobutyl)triazol-1-yl]-1-piperazin-1-ylethanone
CID 16066622
2-[4-(3-Fluoropropyl)triazol-1-yl]acetamide
CID 70304467
2-[4-(3-fluoropropyl)triazol-1-yl]-N-nonan-5-ylacetamide
CID 135189115
4-[[2-[4-(3-Fluoropropyl)triazol-1-yl]acetyl]amino]butylcarbamic acid
CID 135189229
3-[1-(2-Amino-2-oxoethyl)triazol-4-yl]propanamide
CID 171936262
2-(4-butyl-1h-1,2,3-triazol-1-yl)-N-(prop-2-ynyl)acetamide
CID 162787595
2-[4-(4-aminobutyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 106209201
2-[4-(4-Aminobutyl)triazol-1-yl]-1-piperazin-1-ylethanone chloride
CID 53312944
1-Piperazin-1-yl-2-(4-propyltriazol-1-yl)ethanone
CID 68205246
2-(4-Pentyltriazol-1-yl)-1-piperazin-1-ylethanone
CID 68205252

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(4-pentyltriazol-1-yl)acetamide?
The IUPAC name of N-hydroxy-2-(4-pentyltriazol-1-yl)acetamide (CID 70684402) is N-hydroxy-2-(4-pentyltriazol-1-yl)acetamide.
What is the SMILES notation for N-hydroxy-2-(4-pentyltriazol-1-yl)acetamide?
The canonical SMILES for N-hydroxy-2-(4-pentyltriazol-1-yl)acetamide is CCCCCc1cn(CC(=O)NO)nn1.
What is the InChIKey of N-hydroxy-2-(4-pentyltriazol-1-yl)acetamide?
The InChIKey is GHUODOMRJSYGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-2-3-4-5-8-6-13(12-10-8)7-9(14)11-15/h6,15H,2-5,7H2,1H3,(H,11,14).
What are the key properties of N-hydroxy-2-(4-pentyltriazol-1-yl)acetamide?
N-hydroxy-2-(4-pentyltriazol-1-yl)acetamide has a molecular weight of 212.25 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-pentyltriazol-1-yl)acetamide is sourced from PubChem (CID 70684402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).