1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid

C13H21N3O3 — CID 62711099

IUPAC1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid
SMILESCOCCn1cnnc1CC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H21N3O3/c1-19-8-7-16-10-14-15-11(16)9-13(12(17)18)5-3-2-4-6-13/h10H,2-9H2,1H3,(H,17,18)
InChIKeyVYAWBXGYZGUTHW-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.50
Rot. Bonds6

About 1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid

1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid (PubChem CID 62711099) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid
PubChem CID62711099
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid
SMILESCOCCn1cnnc1CC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H21N3O3/c1-19-8-7-16-10-14-15-11(16)9-13(12(17)18)5-3-2-4-6-13/h10H,2-9H2,1H3,(H,17,18)
InChIKeyVYAWBXGYZGUTHW-UHFFFAOYSA-N
XLogP1.50
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]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

2-[4-(3-Methyl-1,2,4-triazol-4-yl)cyclohexyl]acetic acid
CID 121439133
2-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]cyclohexane-1-carboxylic acid
CID 55107734
2-Ethyl-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]butanoic acid
CID 55107735
2-[4-(2-Methylpropyl)-1,2,4-triazol-3-yl]cyclohexane-1-carboxylic acid
CID 55107782
2-(4-Cyclopentyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
CID 55107784
2-[1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid
CID 55108085
2-(4-Propyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
CID 55108230
1-[(4-Propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid
CID 55108623
1-[(4-Propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 55108624
2-(4-Cyclopropyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
CID 55108625
2-[1-[(2-Methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid
CID 55108725
1-[(4-Methyl-1,2,4-triazol-3-yl)methyl]cycloheptane-1-carboxylic acid
CID 55108774

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid (CID 62711099) is 1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid is COCCn1cnnc1CC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is VYAWBXGYZGUTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-19-8-7-16-10-14-15-11(16)9-13(12(17)18)5-3-2-4-6-13/h10H,2-9H2,1H3,(H,17,18).
What are the key properties of 1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid?
1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62711099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).