1-[1-(3,3,5-trimethylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid

C15H24N4O2 — CID 79310679

IUPAC1-[1-(3,3,5-trimethylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid
SMILESCC1CC(N2CC(n3cc(C(=O)O)nn3)C2)CC(C)(C)C1
InChIInChI=1S/C15H24N4O2/c1-10-4-11(6-15(2,3)5-10)18-7-12(8-18)19-9-13(14(20)21)16-17-19/h9-12H,4-8H2,1-3H3,(H,20,21)
InChIKeyHVFXMSDWCQWOAZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.05
Rot. Bonds3

About 1-[1-(3,3,5-trimethylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid

1-[1-(3,3,5-trimethylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid (PubChem CID 79310679) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[1-(3,3,5-trimethylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3,3,5-trimethylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid
PubChem CID79310679
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[1-(3,3,5-trimethylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid
SMILESCC1CC(N2CC(n3cc(C(=O)O)nn3)C2)CC(C)(C)C1
InChIInChI=1S/C15H24N4O2/c1-10-4-11(6-15(2,3)5-10)18-7-12(8-18)19-9-13(14(20)21)16-17-19/h9-12H,4-8H2,1-3H3,(H,20,21)
InChIKeyHVFXMSDWCQWOAZ-UHFFFAOYSA-N
XLogP2.05
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3,3-dimethylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79316647
1-[1-(1,5-dimethylpyrrolidin-3-yl)azetidin-3-yl]triazole-4-carboxylic acid
CID 81467755
1-[1-(3,4-dimethylpyrrolidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311104
1-[1-(4-propylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79309425
1-[1-(2-ethylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79308948
1-[1-(2-methylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79308885
1-[(3R)-1-cyclobutylpyrrolidin-3-yl]triazole-4-carboxylic acid
CID 129493827
1-[1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311498
1-[1-[(3-methylcyclopentyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 114548843
1-[1-[(3-methylcyclohexyl)methyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79308962
1-(1-pentylazetidin-3-yl)triazole-4-carboxylic acid
CID 79309450
1-[1-(methylsulfamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 114806601

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,3,5-trimethylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid?
The IUPAC name of 1-[1-(3,3,5-trimethylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid (CID 79310679) is 1-[1-(3,3,5-trimethylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(3,3,5-trimethylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(3,3,5-trimethylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid is CC1CC(N2CC(n3cc(C(=O)O)nn3)C2)CC(C)(C)C1.
What is the InChIKey of 1-[1-(3,3,5-trimethylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid?
The InChIKey is HVFXMSDWCQWOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10-4-11(6-15(2,3)5-10)18-7-12(8-18)19-9-13(14(20)21)16-17-19/h9-12H,4-8H2,1-3H3,(H,20,21).
What are the key properties of 1-[1-(3,3,5-trimethylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid?
1-[1-(3,3,5-trimethylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,3,5-trimethylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 79310679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).