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

C9H16N4O — CID 70692869

IUPAC2-(4-pentyltriazol-1-yl)acetamide
SMILESCCCCCc1cn(CC(N)=O)nn1
InChIInChI=1S/C9H16N4O/c1-2-3-4-5-8-6-13(12-11-8)7-9(10)14/h6H,2-5,7H2,1H3,(H2,10,14)
InChIKeyMRGRMKPTNFPRBO-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.50
Rot. Bonds6

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

2-(4-pentyltriazol-1-yl)acetamide (PubChem CID 70692869) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(4-pentyltriazol-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-pentyltriazol-1-yl)acetamide
PubChem CID70692869
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-(4-pentyltriazol-1-yl)acetamide
SMILESCCCCCc1cn(CC(N)=O)nn1
InChIInChI=1S/C9H16N4O/c1-2-3-4-5-8-6-13(12-11-8)7-9(10)14/h6H,2-5,7H2,1H3,(H2,10,14)
InChIKeyMRGRMKPTNFPRBO-UHFFFAOYSA-N
XLogP0.50
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pentyltriazol-1-yl)acetamide?
The IUPAC name of 2-(4-pentyltriazol-1-yl)acetamide (CID 70692869) is 2-(4-pentyltriazol-1-yl)acetamide.
What is the SMILES notation for 2-(4-pentyltriazol-1-yl)acetamide?
The canonical SMILES for 2-(4-pentyltriazol-1-yl)acetamide is CCCCCc1cn(CC(N)=O)nn1.
What is the InChIKey of 2-(4-pentyltriazol-1-yl)acetamide?
The InChIKey is MRGRMKPTNFPRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-2-3-4-5-8-6-13(12-11-8)7-9(10)14/h6H,2-5,7H2,1H3,(H2,10,14).
What are the key properties of 2-(4-pentyltriazol-1-yl)acetamide?
2-(4-pentyltriazol-1-yl)acetamide has a molecular weight of 196.25 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pentyltriazol-1-yl)acetamide is sourced from PubChem (CID 70692869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).