4,4-dimethyl-2-(3-propyltriazol-4-yl)cyclohexane-1-carboxylic acid

C14H23N3O2 — CID 114691375

IUPAC4,4-dimethyl-2-(3-propyltriazol-4-yl)cyclohexane-1-carboxylic acid
SMILESCCCn1nncc1C1CC(C)(C)CCC1C(=O)O
InChIInChI=1S/C14H23N3O2/c1-4-7-17-12(9-15-16-17)11-8-14(2,3)6-5-10(11)13(18)19/h9-11H,4-8H2,1-3H3,(H,18,19)
InChIKeyTZOAWPCNOSPZOA-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.68
Rot. Bonds4

About 4,4-dimethyl-2-(3-propyltriazol-4-yl)cyclohexane-1-carboxylic acid

4,4-dimethyl-2-(3-propyltriazol-4-yl)cyclohexane-1-carboxylic acid (PubChem CID 114691375) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4,4-dimethyl-2-(3-propyltriazol-4-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-(3-propyltriazol-4-yl)cyclohexane-1-carboxylic acid
PubChem CID114691375
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4,4-dimethyl-2-(3-propyltriazol-4-yl)cyclohexane-1-carboxylic acid
SMILESCCCn1nncc1C1CC(C)(C)CCC1C(=O)O
InChIInChI=1S/C14H23N3O2/c1-4-7-17-12(9-15-16-17)11-8-14(2,3)6-5-10(11)13(18)19/h9-11H,4-8H2,1-3H3,(H,18,19)
InChIKeyTZOAWPCNOSPZOA-UHFFFAOYSA-N
XLogP2.68
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,4-dimethyl-2-(3-propyltriazol-4-yl)cyclohexane-1-carboxylic acid 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

5-(3-chloro-2-methylcyclopentyl)-1-propyltriazole
CID 114690653
4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 113297404
(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methanone
CID 114685710
2-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol
CID 130555176
(2,2-dimethylcyclopropyl)-(3-propyltriazol-4-yl)methanol
CID 107005461
N-propyl-2-(3-propyltriazol-4-yl)cyclohexan-1-amine
CID 114690135
N-[[4-methyl-2-(3-propyltriazol-4-yl)cyclohexyl]methyl]cyclopropanamine
CID 114691580
3-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol
CID 103564590
N-propyl-2-(3-propyltriazol-4-yl)cycloheptan-1-amine
CID 114690150
2-(2,4-dimethylphenyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81021330
2-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81021094
2-(2,6-dimethoxyphenyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 116811353

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(3-propyltriazol-4-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4,4-dimethyl-2-(3-propyltriazol-4-yl)cyclohexane-1-carboxylic acid (CID 114691375) is 4,4-dimethyl-2-(3-propyltriazol-4-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4,4-dimethyl-2-(3-propyltriazol-4-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4,4-dimethyl-2-(3-propyltriazol-4-yl)cyclohexane-1-carboxylic acid is CCCn1nncc1C1CC(C)(C)CCC1C(=O)O.
What is the InChIKey of 4,4-dimethyl-2-(3-propyltriazol-4-yl)cyclohexane-1-carboxylic acid?
The InChIKey is TZOAWPCNOSPZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-7-17-12(9-15-16-17)11-8-14(2,3)6-5-10(11)13(18)19/h9-11H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 4,4-dimethyl-2-(3-propyltriazol-4-yl)cyclohexane-1-carboxylic acid?
4,4-dimethyl-2-(3-propyltriazol-4-yl)cyclohexane-1-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(3-propyltriazol-4-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114691375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).