1-(3-ethoxypropyl)-5-(methoxymethyl)triazole-4-carboxylic acid

C10H17N3O4 — CID 102643218

IUPAC1-(3-ethoxypropyl)-5-(methoxymethyl)triazole-4-carboxylic acid
SMILESCCOCCCn1nnc(C(=O)O)c1COC
InChIInChI=1S/C10H17N3O4/c1-3-17-6-4-5-13-8(7-16-2)9(10(14)15)11-12-13/h3-7H2,1-2H3,(H,14,15)
InChIKeyWJNSNYRISXVZGW-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.55
Rot. Bonds8

About 1-(3-ethoxypropyl)-5-(methoxymethyl)triazole-4-carboxylic acid

1-(3-ethoxypropyl)-5-(methoxymethyl)triazole-4-carboxylic acid (PubChem CID 102643218) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-5-(methoxymethyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-5-(methoxymethyl)triazole-4-carboxylic acid
PubChem CID102643218
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name1-(3-ethoxypropyl)-5-(methoxymethyl)triazole-4-carboxylic acid
SMILESCCOCCCn1nnc(C(=O)O)c1COC
InChIInChI=1S/C10H17N3O4/c1-3-17-6-4-5-13-8(7-16-2)9(10(14)15)11-12-13/h3-7H2,1-2H3,(H,14,15)
InChIKeyWJNSNYRISXVZGW-UHFFFAOYSA-N
XLogP0.55
TPSA86.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(methoxymethyl)-1-octyltriazole-4-carboxylic acid
CID 102643235
1-(4-hydroxybutyl)-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643264
5-(methoxymethyl)-1-propyltriazole-4-carboxylic acid
CID 82204864
1-(3-aminopropyl)-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643302
1-(cyclobutylmethyl)-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643357
5-(difluoromethyl)-1-(3-ethoxypropyl)triazole-4-carboxylic acid
CID 102644469
1-(2-ethoxyethyl)-5-(2-methylpropyl)triazole-4-carboxylic acid
CID 102645594
1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643359
5-(methoxymethyl)-1-(2-methylpentyl)triazole-4-carboxylic acid
CID 102643299
1-(3-ethoxypropyl)-5-(1-methylpyrazol-4-yl)triazole-4-carboxylic acid
CID 103115105
methyl 1-(3-ethylsulfonylpropyl)-5-(methoxymethyl)triazole-4-carboxylate
CID 102643796
5-butyl-1-pentyltriazole-4-carboxylic acid
CID 82205585

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-5-(methoxymethyl)triazole-4-carboxylic acid?
The IUPAC name of 1-(3-ethoxypropyl)-5-(methoxymethyl)triazole-4-carboxylic acid (CID 102643218) is 1-(3-ethoxypropyl)-5-(methoxymethyl)triazole-4-carboxylic acid.
What is the SMILES notation for 1-(3-ethoxypropyl)-5-(methoxymethyl)triazole-4-carboxylic acid?
The canonical SMILES for 1-(3-ethoxypropyl)-5-(methoxymethyl)triazole-4-carboxylic acid is CCOCCCn1nnc(C(=O)O)c1COC.
What is the InChIKey of 1-(3-ethoxypropyl)-5-(methoxymethyl)triazole-4-carboxylic acid?
The InChIKey is WJNSNYRISXVZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-3-17-6-4-5-13-8(7-16-2)9(10(14)15)11-12-13/h3-7H2,1-2H3,(H,14,15).
What are the key properties of 1-(3-ethoxypropyl)-5-(methoxymethyl)triazole-4-carboxylic acid?
1-(3-ethoxypropyl)-5-(methoxymethyl)triazole-4-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 0.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-5-(methoxymethyl)triazole-4-carboxylic acid is sourced from PubChem (CID 102643218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).