2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylcyclohex-2-en-1-yl)acetamide

C11H17N5O — CID 166293233

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylcyclohex-2-en-1-yl)acetamide
SMILESCC1=CC(NC(=O)Cn2cnc(N)n2)CCC1
InChIInChI=1S/C11H17N5O/c1-8-3-2-4-9(5-8)14-10(17)6-16-7-13-11(12)15-16/h5,7,9H,2-4,6H2,1H3,(H2,12,15)(H,14,17)
InChIKeyXLVPGKGHNCZLJV-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.48
Rot. Bonds3

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylcyclohex-2-en-1-yl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylcyclohex-2-en-1-yl)acetamide (PubChem CID 166293233) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylcyclohex-2-en-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylcyclohex-2-en-1-yl)acetamide
PubChem CID166293233
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylcyclohex-2-en-1-yl)acetamide
SMILESCC1=CC(NC(=O)Cn2cnc(N)n2)CCC1
InChIInChI=1S/C11H17N5O/c1-8-3-2-4-9(5-8)14-10(17)6-16-7-13-11(12)15-16/h5,7,9H,2-4,6H2,1H3,(H2,12,15)(H,14,17)
InChIKeyXLVPGKGHNCZLJV-UHFFFAOYSA-N
XLogP0.48
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylcyclohex-2-en-1-yl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylcyclohex-2-en-1-yl)acetamide (CID 166293233) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylcyclohex-2-en-1-yl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylcyclohex-2-en-1-yl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylcyclohex-2-en-1-yl)acetamide is CC1=CC(NC(=O)Cn2cnc(N)n2)CCC1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylcyclohex-2-en-1-yl)acetamide?
The InChIKey is XLVPGKGHNCZLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-8-3-2-4-9(5-8)14-10(17)6-16-7-13-11(12)15-16/h5,7,9H,2-4,6H2,1H3,(H2,12,15)(H,14,17).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylcyclohex-2-en-1-yl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylcyclohex-2-en-1-yl)acetamide has a molecular weight of 235.29 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylcyclohex-2-en-1-yl)acetamide is sourced from PubChem (CID 166293233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).