2-cyclohex-2-en-1-yl-N-(1,5-dimethyltriazol-4-yl)acetamide

C12H18N4O — CID 128722982

IUPAC2-cyclohex-2-en-1-yl-N-(1,5-dimethyltriazol-4-yl)acetamide
SMILESCc1c(NC(=O)CC2C=CCCC2)nnn1C
InChIInChI=1S/C12H18N4O/c1-9-12(14-15-16(9)2)13-11(17)8-10-6-4-3-5-7-10/h4,6,10H,3,5,7-8H2,1-2H3,(H,13,17)
InChIKeyPBZNYOAPRFVXJJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.81
Rot. Bonds3

About 2-cyclohex-2-en-1-yl-N-(1,5-dimethyltriazol-4-yl)acetamide

2-cyclohex-2-en-1-yl-N-(1,5-dimethyltriazol-4-yl)acetamide (PubChem CID 128722982) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-yl-N-(1,5-dimethyltriazol-4-yl)acetamide.

Molecular Properties

Compound Name2-cyclohex-2-en-1-yl-N-(1,5-dimethyltriazol-4-yl)acetamide
PubChem CID128722982
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-cyclohex-2-en-1-yl-N-(1,5-dimethyltriazol-4-yl)acetamide
SMILESCc1c(NC(=O)CC2C=CCCC2)nnn1C
InChIInChI=1S/C12H18N4O/c1-9-12(14-15-16(9)2)13-11(17)8-10-6-4-3-5-7-10/h4,6,10H,3,5,7-8H2,1-2H3,(H,13,17)
InChIKeyPBZNYOAPRFVXJJ-UHFFFAOYSA-N
XLogP1.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cyclohex-2-en-1-yl-N-(1,5-dimethyltriazol-4-yl)acetamide?
The IUPAC name of 2-cyclohex-2-en-1-yl-N-(1,5-dimethyltriazol-4-yl)acetamide (CID 128722982) is 2-cyclohex-2-en-1-yl-N-(1,5-dimethyltriazol-4-yl)acetamide.
What is the SMILES notation for 2-cyclohex-2-en-1-yl-N-(1,5-dimethyltriazol-4-yl)acetamide?
The canonical SMILES for 2-cyclohex-2-en-1-yl-N-(1,5-dimethyltriazol-4-yl)acetamide is Cc1c(NC(=O)CC2C=CCCC2)nnn1C.
What is the InChIKey of 2-cyclohex-2-en-1-yl-N-(1,5-dimethyltriazol-4-yl)acetamide?
The InChIKey is PBZNYOAPRFVXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9-12(14-15-16(9)2)13-11(17)8-10-6-4-3-5-7-10/h4,6,10H,3,5,7-8H2,1-2H3,(H,13,17).
What are the key properties of 2-cyclohex-2-en-1-yl-N-(1,5-dimethyltriazol-4-yl)acetamide?
2-cyclohex-2-en-1-yl-N-(1,5-dimethyltriazol-4-yl)acetamide has a molecular weight of 234.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-yl-N-(1,5-dimethyltriazol-4-yl)acetamide is sourced from PubChem (CID 128722982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).