1-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]triazole-4-carboxylic acid

C15H25N3O3 — CID 43151040

IUPAC1-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]triazole-4-carboxylic acid
SMILESCC1CCC(C(C)C)C(OCCn2cc(C(=O)O)nn2)C1
InChIInChI=1S/C15H25N3O3/c1-10(2)12-5-4-11(3)8-14(12)21-7-6-18-9-13(15(19)20)16-17-18/h9-12,14H,4-8H2,1-3H3,(H,19,20)
InChIKeyHAXGVFDCIFJRSR-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.45
Rot. Bonds6

About 1-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]triazole-4-carboxylic acid

1-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]triazole-4-carboxylic acid (PubChem CID 43151040) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]triazole-4-carboxylic acid
PubChem CID43151040
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]triazole-4-carboxylic acid
SMILESCC1CCC(C(C)C)C(OCCn2cc(C(=O)O)nn2)C1
InChIInChI=1S/C15H25N3O3/c1-10(2)12-5-4-11(3)8-14(12)21-7-6-18-9-13(15(19)20)16-17-18/h9-12,14H,4-8H2,1-3H3,(H,19,20)
InChIKeyHAXGVFDCIFJRSR-UHFFFAOYSA-N
XLogP2.45
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]triazole-4-carboxylic acid (CID 43151040) is 1-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]triazole-4-carboxylic acid is CC1CCC(C(C)C)C(OCCn2cc(C(=O)O)nn2)C1.
What is the InChIKey of 1-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]triazole-4-carboxylic acid?
The InChIKey is HAXGVFDCIFJRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10(2)12-5-4-11(3)8-14(12)21-7-6-18-9-13(15(19)20)16-17-18/h9-12,14H,4-8H2,1-3H3,(H,19,20).
What are the key properties of 1-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]triazole-4-carboxylic acid?
1-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]triazole-4-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 43151040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).