5-(methoxymethyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxylic acid

C16H15N3O3 — CID 82202427

IUPAC5-(methoxymethyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxylic acid
SMILESCOCc1c(C(=O)O)nnn1Cc1cccc2ccccc12
InChIInChI=1S/C16H15N3O3/c1-22-10-14-15(16(20)21)17-18-19(14)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyUWURRCWWOXGHGN-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.32
Rot. Bonds5

About 5-(methoxymethyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxylic acid

5-(methoxymethyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxylic acid (PubChem CID 82202427) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-(methoxymethyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(methoxymethyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxylic acid
PubChem CID82202427
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name5-(methoxymethyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxylic acid
SMILESCOCc1c(C(=O)O)nnn1Cc1cccc2ccccc12
InChIInChI=1S/C16H15N3O3/c1-22-10-14-15(16(20)21)17-18-19(14)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyUWURRCWWOXGHGN-UHFFFAOYSA-N
XLogP2.32
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,6-dimethylphenyl)methyl]-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643389
1-[2-(benzylamino)-2-oxoethyl]-5-(methoxymethyl)triazole-4-carboxylic acid
CID 82202406
1-[(3-carbamoylphenyl)methyl]-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643384
1-(2,2-difluoro-2-phenylethyl)-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643327
1-[(2-bromophenyl)methyl]-5-(2-methoxyethyl)triazole-4-carboxylic acid
CID 102645782
5-(methoxymethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid
CID 102643311
5-(methoxymethyl)-1-propyltriazole-4-carboxylic acid
CID 82204864
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643382
1-(2,3-dihydro-1H-inden-5-ylmethyl)-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643390
5-(aminomethyl)-1-[(2-fluoro-3-methoxyphenyl)methyl]triazole-4-carboxylic acid
CID 103121711
1-(4-hydroxybutyl)-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643264
1-[(2-fluorophenyl)methyl]-5-propyltriazole-4-carboxylic acid
CID 56828774

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxylic acid?
The IUPAC name of 5-(methoxymethyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxylic acid (CID 82202427) is 5-(methoxymethyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-(methoxymethyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxylic acid?
The canonical SMILES for 5-(methoxymethyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxylic acid is COCc1c(C(=O)O)nnn1Cc1cccc2ccccc12.
What is the InChIKey of 5-(methoxymethyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxylic acid?
The InChIKey is UWURRCWWOXGHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-22-10-14-15(16(20)21)17-18-19(14)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8H,9-10H2,1H3,(H,20,21).
What are the key properties of 5-(methoxymethyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxylic acid?
5-(methoxymethyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxylic acid is sourced from PubChem (CID 82202427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).