(2,4,6-trimethylcyclohexyl) 2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)acetate

C19H31N3O2 — CID 18739466

IUPAC(2,4,6-trimethylcyclohexyl) 2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)acetate
SMILESCC1CC(C)C(OC(=O)Cc2nc(C3CCCCC3)n[nH]2)C(C)C1
InChIInChI=1S/C19H31N3O2/c1-12-9-13(2)18(14(3)10-12)24-17(23)11-16-20-19(22-21-16)15-7-5-4-6-8-15/h12-15,18H,4-11H2,1-3H3,(H,20,21,22)
InChIKeyWGNWWMYNILUSLW-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.01
Rot. Bonds4

About (2,4,6-trimethylcyclohexyl) 2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)acetate

(2,4,6-trimethylcyclohexyl) 2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)acetate (PubChem CID 18739466) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (2,4,6-trimethylcyclohexyl) 2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)acetate.

Molecular Properties

Compound Name(2,4,6-trimethylcyclohexyl) 2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)acetate
PubChem CID18739466
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(2,4,6-trimethylcyclohexyl) 2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)acetate
SMILESCC1CC(C)C(OC(=O)Cc2nc(C3CCCCC3)n[nH]2)C(C)C1
InChIInChI=1S/C19H31N3O2/c1-12-9-13(2)18(14(3)10-12)24-17(23)11-16-20-19(22-21-16)15-7-5-4-6-8-15/h12-15,18H,4-11H2,1-3H3,(H,20,21,22)
InChIKeyWGNWWMYNILUSLW-UHFFFAOYSA-N
XLogP4.01
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2,4,6-trimethylcyclohexyl) 2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4,6-trimethylcyclohexyl) 2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)acetate
CID 18739470
(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methanol
CID 61338898
3-cyclohexyl-5-(methoxymethyl)-1H-1,2,4-triazole
CID 61337738
3-cyclopentyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-1,2,4-triazole
CID 112602957
3-cyclohexyl-5-(propan-2-yloxymethyl)-1H-1,2,4-triazole
CID 112602960
5-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)pentanoic acid
CID 61345746
3-cyclohexyl-5-(2-methylpropyl)-1H-1,2,4-triazole
CID 61337747
3-cyclohexyl-5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole
CID 103020826
5-(cyclobutylmethyl)-3-cyclohexyl-1H-1,2,4-triazole
CID 103164429
3-cyclohexyl-5-nonyl-1H-1,2,4-triazole
CID 65427882
methyl 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butanoate
CID 50974964
4-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperidine
CID 79606608

Frequently Asked Questions

What is the IUPAC name of (2,4,6-trimethylcyclohexyl) 2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)acetate?
The IUPAC name of (2,4,6-trimethylcyclohexyl) 2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)acetate (CID 18739466) is (2,4,6-trimethylcyclohexyl) 2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)acetate.
What is the SMILES notation for (2,4,6-trimethylcyclohexyl) 2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)acetate?
The canonical SMILES for (2,4,6-trimethylcyclohexyl) 2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)acetate is CC1CC(C)C(OC(=O)Cc2nc(C3CCCCC3)n[nH]2)C(C)C1.
What is the InChIKey of (2,4,6-trimethylcyclohexyl) 2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)acetate?
The InChIKey is WGNWWMYNILUSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-12-9-13(2)18(14(3)10-12)24-17(23)11-16-20-19(22-21-16)15-7-5-4-6-8-15/h12-15,18H,4-11H2,1-3H3,(H,20,21,22).
What are the key properties of (2,4,6-trimethylcyclohexyl) 2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)acetate?
(2,4,6-trimethylcyclohexyl) 2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)acetate has a molecular weight of 333.48 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethylcyclohexyl) 2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)acetate is sourced from PubChem (CID 18739466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).