5-cyclopropyl-1-[2-(2-methylphenoxy)ethyl]triazole-4-carboxylic acid

C15H17N3O3 — CID 62055783

IUPAC5-cyclopropyl-1-[2-(2-methylphenoxy)ethyl]triazole-4-carboxylic acid
SMILESCc1ccccc1OCCn1nnc(C(=O)O)c1C1CC1
InChIInChI=1S/C15H17N3O3/c1-10-4-2-3-5-12(10)21-9-8-18-14(11-6-7-11)13(15(19)20)16-17-18/h2-5,11H,6-9H2,1H3,(H,19,20)
InChIKeyYDHOLTCZBJVXMK-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.24
Rot. Bonds6

About 5-cyclopropyl-1-[2-(2-methylphenoxy)ethyl]triazole-4-carboxylic acid

5-cyclopropyl-1-[2-(2-methylphenoxy)ethyl]triazole-4-carboxylic acid (PubChem CID 62055783) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-cyclopropyl-1-[2-(2-methylphenoxy)ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-[2-(2-methylphenoxy)ethyl]triazole-4-carboxylic acid
PubChem CID62055783
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-cyclopropyl-1-[2-(2-methylphenoxy)ethyl]triazole-4-carboxylic acid
SMILESCc1ccccc1OCCn1nnc(C(=O)O)c1C1CC1
InChIInChI=1S/C15H17N3O3/c1-10-4-2-3-5-12(10)21-9-8-18-14(11-6-7-11)13(15(19)20)16-17-18/h2-5,11H,6-9H2,1H3,(H,19,20)
InChIKeyYDHOLTCZBJVXMK-UHFFFAOYSA-N
XLogP2.24
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methylphenoxy)ethyl]-5-propyltriazole-4-carboxylic acid
CID 62055242
5-cyclopentyl-1-(2-phenylmethoxyethyl)triazole-4-carboxylic acid
CID 165486533
5-cyclobutyl-1-[4-(2-methylphenoxy)butyl]triazole-4-carbaldehyde
CID 94945333
5-cyclobutyl-1-[(2-methylphenyl)methyl]triazole-4-carboxylic acid
CID 82202481
5-cyclopropyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid
CID 82201144
5-cyclopropyl-1-[2-(2,6-dimethylanilino)-2-oxoethyl]triazole-4-carboxylic acid
CID 94935426
3-[2-(2-methylphenoxy)ethyl]-4-oxophthalazine-1-carboxylic acid
CID 2079781
1-[2-(2,5-dimethylphenoxy)ethyl]-5-methyltriazole-4-carboxylic acid
CID 62054182
5-cyclopropyl-1-(4-methylpentyl)triazole-4-carboxylic acid
CID 83161633
1-[(2-chlorophenyl)methyl]-5-cyclopropyltriazole-4-carboxylic acid
CID 55029564
5-ethyl-1-[2-(2-fluorophenoxy)ethyl]triazole-4-carboxylic acid
CID 62059638
1-[2-(2-chlorophenoxy)ethyl]-5-propan-2-yltriazole-4-carboxylic acid
CID 62061098

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[2-(2-methylphenoxy)ethyl]triazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-[2-(2-methylphenoxy)ethyl]triazole-4-carboxylic acid (CID 62055783) is 5-cyclopropyl-1-[2-(2-methylphenoxy)ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-[2-(2-methylphenoxy)ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-[2-(2-methylphenoxy)ethyl]triazole-4-carboxylic acid is Cc1ccccc1OCCn1nnc(C(=O)O)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-[2-(2-methylphenoxy)ethyl]triazole-4-carboxylic acid?
The InChIKey is YDHOLTCZBJVXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-4-2-3-5-12(10)21-9-8-18-14(11-6-7-11)13(15(19)20)16-17-18/h2-5,11H,6-9H2,1H3,(H,19,20).
What are the key properties of 5-cyclopropyl-1-[2-(2-methylphenoxy)ethyl]triazole-4-carboxylic acid?
5-cyclopropyl-1-[2-(2-methylphenoxy)ethyl]triazole-4-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[2-(2-methylphenoxy)ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 62055783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).