1-(cyclobutylmethyl)-5-(methoxymethyl)triazole-4-carboxylic acid

C10H15N3O3 — CID 102643357

IUPAC1-(cyclobutylmethyl)-5-(methoxymethyl)triazole-4-carboxylic acid
SMILESCOCc1c(C(=O)O)nnn1CC1CCC1
InChIInChI=1S/C10H15N3O3/c1-16-6-8-9(10(14)15)11-12-13(8)5-7-3-2-4-7/h7H,2-6H2,1H3,(H,14,15)
InChIKeyVSDGCJIYJGTDKA-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.92
Rot. Bonds5

About 1-(cyclobutylmethyl)-5-(methoxymethyl)triazole-4-carboxylic acid

1-(cyclobutylmethyl)-5-(methoxymethyl)triazole-4-carboxylic acid (PubChem CID 102643357) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-5-(methoxymethyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-5-(methoxymethyl)triazole-4-carboxylic acid
PubChem CID102643357
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name1-(cyclobutylmethyl)-5-(methoxymethyl)triazole-4-carboxylic acid
SMILESCOCc1c(C(=O)O)nnn1CC1CCC1
InChIInChI=1S/C10H15N3O3/c1-16-6-8-9(10(14)15)11-12-13(8)5-7-3-2-4-7/h7H,2-6H2,1H3,(H,14,15)
InChIKeyVSDGCJIYJGTDKA-UHFFFAOYSA-N
XLogP0.92
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopentylmethyl)-5-(2-methoxyethyl)triazole-4-carboxylic acid
CID 102645888
1-(3-ethoxypropyl)-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643218
5-(methoxymethyl)-1-propyltriazole-4-carboxylic acid
CID 82204864
5-(methoxymethyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 82202408
5-(methoxymethyl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 102643492
1-(4-hydroxybutyl)-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643264
ethyl 5-(aminomethyl)-1-(cyclobutylmethyl)triazole-4-carboxylate
CID 103111414
1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643359
1-(3-aminopropyl)-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643302
5-(methoxymethyl)-1-octyltriazole-4-carboxylic acid
CID 102643235
1-(3,5-dimethylcyclohexyl)-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643216
1-(2,3-dihydro-1H-inden-5-ylmethyl)-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643390

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-5-(methoxymethyl)triazole-4-carboxylic acid?
The IUPAC name of 1-(cyclobutylmethyl)-5-(methoxymethyl)triazole-4-carboxylic acid (CID 102643357) is 1-(cyclobutylmethyl)-5-(methoxymethyl)triazole-4-carboxylic acid.
What is the SMILES notation for 1-(cyclobutylmethyl)-5-(methoxymethyl)triazole-4-carboxylic acid?
The canonical SMILES for 1-(cyclobutylmethyl)-5-(methoxymethyl)triazole-4-carboxylic acid is COCc1c(C(=O)O)nnn1CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-5-(methoxymethyl)triazole-4-carboxylic acid?
The InChIKey is VSDGCJIYJGTDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-16-6-8-9(10(14)15)11-12-13(8)5-7-3-2-4-7/h7H,2-6H2,1H3,(H,14,15).
What are the key properties of 1-(cyclobutylmethyl)-5-(methoxymethyl)triazole-4-carboxylic acid?
1-(cyclobutylmethyl)-5-(methoxymethyl)triazole-4-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-5-(methoxymethyl)triazole-4-carboxylic acid is sourced from PubChem (CID 102643357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).