5-(2-methoxyethyl)-1-[(6-methoxy-2-pyridinyl)methyl]triazole-4-carboxylic acid

C13H16N4O4 — CID 102645892

IUPAC5-(2-methoxyethyl)-1-[(6-methoxy-2-pyridinyl)methyl]triazole-4-carboxylic acid
SMILESCOCCc1c(C(=O)O)nnn1Cc1cccc(OC)n1
InChIInChI=1S/C13H16N4O4/c1-20-7-6-10-12(13(18)19)15-16-17(10)8-9-4-3-5-11(14-9)21-2/h3-5H,6-8H2,1-2H3,(H,18,19)
InChIKeyYZTDYPNFBHMMOX-UHFFFAOYSA-N
MW292.30 g/mol
LogP0.62
Rot. Bonds7

About 5-(2-methoxyethyl)-1-[(6-methoxy-2-pyridinyl)methyl]triazole-4-carboxylic acid

5-(2-methoxyethyl)-1-[(6-methoxy-2-pyridinyl)methyl]triazole-4-carboxylic acid (PubChem CID 102645892) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-1-[(6-methoxy-2-pyridinyl)methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxyethyl)-1-[(6-methoxy-2-pyridinyl)methyl]triazole-4-carboxylic acid
PubChem CID102645892
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name5-(2-methoxyethyl)-1-[(6-methoxy-2-pyridinyl)methyl]triazole-4-carboxylic acid
SMILESCOCCc1c(C(=O)O)nnn1Cc1cccc(OC)n1
InChIInChI=1S/C13H16N4O4/c1-20-7-6-10-12(13(18)19)15-16-17(10)8-9-4-3-5-11(14-9)21-2/h3-5H,6-8H2,1-2H3,(H,18,19)
InChIKeyYZTDYPNFBHMMOX-UHFFFAOYSA-N
XLogP0.62
TPSA99.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2-bromophenyl)methyl]-5-(2-methoxyethyl)triazole-4-carboxylic acid
CID 102645782
1-[(3-bromothiophen-2-yl)methyl]-5-(2-methoxyethyl)triazole-4-carboxylic acid
CID 102645799
1-(cyclopentylmethyl)-5-(2-methoxyethyl)triazole-4-carboxylic acid
CID 102645888
5-(2-methoxyethyl)-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 102645866
5-(2-methoxyethyl)-1-[(5-nitrofuran-2-yl)methyl]triazole-4-carboxylic acid
CID 102645958
5-methyl-1-[(6-methyl-2-pyridinyl)methyl]triazole-4-carboxylic acid
CID 79260716
1-[(2,6-dimethylphenyl)methyl]-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643389
1-[2-(diethylamino)-2-oxoethyl]-5-(2-methoxyethyl)triazole-4-carboxylic acid
CID 102646012
5-(2-methoxyethyl)-1-[(5-oxopyrrolidin-2-yl)methyl]triazole-4-carboxylic acid
CID 107530783
5-(methoxymethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid
CID 102643311
5-(2-aminoethyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxylic acid
CID 103119024
methyl 5-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]triazole-4-carboxylate
CID 102646233

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-1-[(6-methoxy-2-pyridinyl)methyl]triazole-4-carboxylic acid?
The IUPAC name of 5-(2-methoxyethyl)-1-[(6-methoxy-2-pyridinyl)methyl]triazole-4-carboxylic acid (CID 102645892) is 5-(2-methoxyethyl)-1-[(6-methoxy-2-pyridinyl)methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-methoxyethyl)-1-[(6-methoxy-2-pyridinyl)methyl]triazole-4-carboxylic acid?
The canonical SMILES for 5-(2-methoxyethyl)-1-[(6-methoxy-2-pyridinyl)methyl]triazole-4-carboxylic acid is COCCc1c(C(=O)O)nnn1Cc1cccc(OC)n1.
What is the InChIKey of 5-(2-methoxyethyl)-1-[(6-methoxy-2-pyridinyl)methyl]triazole-4-carboxylic acid?
The InChIKey is YZTDYPNFBHMMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-20-7-6-10-12(13(18)19)15-16-17(10)8-9-4-3-5-11(14-9)21-2/h3-5H,6-8H2,1-2H3,(H,18,19).
What are the key properties of 5-(2-methoxyethyl)-1-[(6-methoxy-2-pyridinyl)methyl]triazole-4-carboxylic acid?
5-(2-methoxyethyl)-1-[(6-methoxy-2-pyridinyl)methyl]triazole-4-carboxylic acid has a molecular weight of 292.30 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-1-[(6-methoxy-2-pyridinyl)methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 102645892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).