3-(2-naphthalen-1-yloxyethyl)triazole-4-carboxylic acid

C15H13N3O3 — CID 82209340

IUPAC3-(2-naphthalen-1-yloxyethyl)triazole-4-carboxylic acid
SMILESO=C(O)c1cnnn1CCOc1cccc2ccccc12
InChIInChI=1S/C15H13N3O3/c19-15(20)13-10-16-17-18(13)8-9-21-14-7-3-5-11-4-1-2-6-12(11)14/h1-7,10H,8-9H2,(H,19,20)
InChIKeyWSQFDFPFKRZRDO-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.21
Rot. Bonds5

About 3-(2-naphthalen-1-yloxyethyl)triazole-4-carboxylic acid

3-(2-naphthalen-1-yloxyethyl)triazole-4-carboxylic acid (PubChem CID 82209340) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-(2-naphthalen-1-yloxyethyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-naphthalen-1-yloxyethyl)triazole-4-carboxylic acid
PubChem CID82209340
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name3-(2-naphthalen-1-yloxyethyl)triazole-4-carboxylic acid
SMILESO=C(O)c1cnnn1CCOc1cccc2ccccc12
InChIInChI=1S/C15H13N3O3/c19-15(20)13-10-16-17-18(13)8-9-21-14-7-3-5-11-4-1-2-6-12(11)14/h1-7,10H,8-9H2,(H,19,20)
InChIKeyWSQFDFPFKRZRDO-UHFFFAOYSA-N
XLogP2.21
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 2924114
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ethyl 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylate
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2-naphthalen-1-yloxyethyl acetate
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4-(2-naphthalen-1-yloxyethyl)thiomorpholine
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CID 2195259
5-(naphthalen-1-yloxymethyl)pyridine-2-carboxylic acid
CID 118428749
benzene;naphthalen-1-yloxymethanol
CID 70447137
2-[1-(2-naphthalen-1-yloxyethyl)pyrazol-4-yl]ethanol
CID 75522161
1-[2-methyl-1-(2-naphthalen-1-yloxyethyl)pyrrol-3-yl]ethanone
CID 84616702
2-(3-naphthalen-1-yloxypropyl)-1,3-thiazole-4-carboxylic acid
CID 94760695

Frequently Asked Questions

What is the IUPAC name of 3-(2-naphthalen-1-yloxyethyl)triazole-4-carboxylic acid?
The IUPAC name of 3-(2-naphthalen-1-yloxyethyl)triazole-4-carboxylic acid (CID 82209340) is 3-(2-naphthalen-1-yloxyethyl)triazole-4-carboxylic acid.
What is the SMILES notation for 3-(2-naphthalen-1-yloxyethyl)triazole-4-carboxylic acid?
The canonical SMILES for 3-(2-naphthalen-1-yloxyethyl)triazole-4-carboxylic acid is O=C(O)c1cnnn1CCOc1cccc2ccccc12.
What is the InChIKey of 3-(2-naphthalen-1-yloxyethyl)triazole-4-carboxylic acid?
The InChIKey is WSQFDFPFKRZRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-15(20)13-10-16-17-18(13)8-9-21-14-7-3-5-11-4-1-2-6-12(11)14/h1-7,10H,8-9H2,(H,19,20).
What are the key properties of 3-(2-naphthalen-1-yloxyethyl)triazole-4-carboxylic acid?
3-(2-naphthalen-1-yloxyethyl)triazole-4-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-naphthalen-1-yloxyethyl)triazole-4-carboxylic acid is sourced from PubChem (CID 82209340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).