ethyl 4-(6-chloronaphthalen-2-yl)oxy-1H-triazole-5-carboxylate

C15H12ClN3O3 — CID 155422114

IUPACethyl 4-(6-chloronaphthalen-2-yl)oxy-1H-triazole-5-carboxylate
SMILESCCOC(=O)c1[nH]nnc1Oc1ccc2cc(Cl)ccc2c1
InChIInChI=1S/C15H12ClN3O3/c1-2-21-15(20)13-14(18-19-17-13)22-12-6-4-9-7-11(16)5-3-10(9)8-12/h3-8H,2H2,1H3,(H,17,18,19)
InChIKeyRGZZEGDPZAJXLZ-UHFFFAOYSA-N
MW317.73 g/mol
LogP3.58
Rot. Bonds4

About ethyl 4-(6-chloronaphthalen-2-yl)oxy-1H-triazole-5-carboxylate

ethyl 4-(6-chloronaphthalen-2-yl)oxy-1H-triazole-5-carboxylate (PubChem CID 155422114) has the molecular formula C15H12ClN3O3 and a molecular weight of 317.73 g/mol. Its IUPAC name is ethyl 4-(6-chloronaphthalen-2-yl)oxy-1H-triazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(6-chloronaphthalen-2-yl)oxy-1H-triazole-5-carboxylate
PubChem CID155422114
Molecular FormulaC15H12ClN3O3
Molecular Weight317.73 g/mol
Exact Mass317.06
IUPAC Nameethyl 4-(6-chloronaphthalen-2-yl)oxy-1H-triazole-5-carboxylate
SMILESCCOC(=O)c1[nH]nnc1Oc1ccc2cc(Cl)ccc2c1
InChIInChI=1S/C15H12ClN3O3/c1-2-21-15(20)13-14(18-19-17-13)22-12-6-4-9-7-11(16)5-3-10(9)8-12/h3-8H,2H2,1H3,(H,17,18,19)
InChIKeyRGZZEGDPZAJXLZ-UHFFFAOYSA-N
XLogP3.58
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[3-chloro-5-(cyclopropylmethoxy)phenoxy]-1H-triazole-5-carboxylate
CID 149212324
ethyl 4-[4-(3,5-dichlorophenyl)cyclohexyl]oxy-1H-triazole-5-carboxylate
CID 155422828
ethyl 4-(3-methoxy-2-propylphenoxy)-1H-triazole-5-carboxylate
CID 170994018
3,4-difluorophenol;5-(3,4-difluorophenoxy)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid;4-(3,4-difluorophenoxy)-1H-triazole-5-carboxylic acid;ethyl 5-(3,4-difluorophenoxy)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate
CID 160888205
4-isoquinolin-6-yloxy-1H-triazole-5-carboxylic acid
CID 155250545
2,5-dichlorophenol;5-(2,5-dichlorophenoxy)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid;4-(2,5-dichlorophenoxy)-1H-triazole-5-carboxylic acid;ethyl 5-(2,5-dichlorophenoxy)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate
CID 159542284
ethyl 5-(6-chloronaphthalen-2-yl)-2H-triazole-4-carboxylate
CID 155421928
4-[4-(4-ethoxyphenyl)phenoxy]-1H-triazole-5-carboxylic acid
CID 139449248
ethyl 5-(3-chlorophenoxy)-3-phenyl-1,2,4-triazine-6-carboxylate
CID 71228253
4-[(6-chloro-3-pyridinyl)oxy]-1H-triazole-5-carboxylic acid
CID 153390835
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
ethyl 6-(4-aminophenoxy)-5-chloropyridine-3-carboxylate
CID 121281075

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-chloronaphthalen-2-yl)oxy-1H-triazole-5-carboxylate?
The IUPAC name of ethyl 4-(6-chloronaphthalen-2-yl)oxy-1H-triazole-5-carboxylate (CID 155422114) is ethyl 4-(6-chloronaphthalen-2-yl)oxy-1H-triazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(6-chloronaphthalen-2-yl)oxy-1H-triazole-5-carboxylate?
The canonical SMILES for ethyl 4-(6-chloronaphthalen-2-yl)oxy-1H-triazole-5-carboxylate is CCOC(=O)c1[nH]nnc1Oc1ccc2cc(Cl)ccc2c1.
What is the InChIKey of ethyl 4-(6-chloronaphthalen-2-yl)oxy-1H-triazole-5-carboxylate?
The InChIKey is RGZZEGDPZAJXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3/c1-2-21-15(20)13-14(18-19-17-13)22-12-6-4-9-7-11(16)5-3-10(9)8-12/h3-8H,2H2,1H3,(H,17,18,19).
What are the key properties of ethyl 4-(6-chloronaphthalen-2-yl)oxy-1H-triazole-5-carboxylate?
ethyl 4-(6-chloronaphthalen-2-yl)oxy-1H-triazole-5-carboxylate has a molecular weight of 317.73 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-chloronaphthalen-2-yl)oxy-1H-triazole-5-carboxylate is sourced from PubChem (CID 155422114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).