1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]triazole-4-carboxylic acid

C15H17N3O3 — CID 43151042

IUPAC1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCOC2CCCc3ccccc32)nn1
InChIInChI=1S/C15H17N3O3/c19-15(20)13-10-18(17-16-13)8-9-21-14-7-3-5-11-4-1-2-6-12(11)14/h1-2,4,6,10,14H,3,5,7-9H2,(H,19,20)
InChIKeyFXDCGVHYUURGHQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.07
Rot. Bonds5

About 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]triazole-4-carboxylic acid

1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]triazole-4-carboxylic acid (PubChem CID 43151042) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]triazole-4-carboxylic acid
PubChem CID43151042
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCOC2CCCc3ccccc32)nn1
InChIInChI=1S/C15H17N3O3/c19-15(20)13-10-18(17-16-13)8-9-21-14-7-3-5-11-4-1-2-6-12(11)14/h1-2,4,6,10,14H,3,5,7-9H2,(H,19,20)
InChIKeyFXDCGVHYUURGHQ-UHFFFAOYSA-N
XLogP2.07
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl-[1-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]triazol-4-yl]methanone
CID 10895264
5-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoyl]pyridine-2-carboxylic acid
CID 119129883
1-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 43135615
4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)but-2-enoic acid
CID 76940962
1-[2-(2-phenoxyethoxy)ethyl]triazole-4-carboxylic acid
CID 43151029
1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid
CID 43267317
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoylamino]butanoic acid
CID 122002145
3-(1-methylpyrazol-4-yl)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide
CID 95378072
1-amino-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butan-2-ol
CID 64814404
4-(hydroxymethyl)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidine-1-carboxamide
CID 111173783
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673678
2-(ethylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanamide
CID 63039289

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]triazole-4-carboxylic acid (CID 43151042) is 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]triazole-4-carboxylic acid is O=C(O)c1cn(CCOC2CCCc3ccccc32)nn1.
What is the InChIKey of 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]triazole-4-carboxylic acid?
The InChIKey is FXDCGVHYUURGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-15(20)13-10-18(17-16-13)8-9-21-14-7-3-5-11-4-1-2-6-12(11)14/h1-2,4,6,10,14H,3,5,7-9H2,(H,19,20).
What are the key properties of 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]triazole-4-carboxylic acid?
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]triazole-4-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 43151042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).