5-(2-aminoethyl)-1-decyltriazole-4-carboxylic acid

C15H28N4O2 — CID 103119120

IUPAC5-(2-aminoethyl)-1-decyltriazole-4-carboxylic acid
SMILESCCCCCCCCCCn1nnc(C(=O)O)c1CCN
InChIInChI=1S/C15H28N4O2/c1-2-3-4-5-6-7-8-9-12-19-13(10-11-16)14(15(20)21)17-18-19/h2-12,16H2,1H3,(H,20,21)
InChIKeyCVBYLXUBNWZSIT-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.62
Rot. Bonds12

About 5-(2-aminoethyl)-1-decyltriazole-4-carboxylic acid

5-(2-aminoethyl)-1-decyltriazole-4-carboxylic acid (PubChem CID 103119120) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1-decyltriazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-aminoethyl)-1-decyltriazole-4-carboxylic acid
PubChem CID103119120
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name5-(2-aminoethyl)-1-decyltriazole-4-carboxylic acid
SMILESCCCCCCCCCCn1nnc(C(=O)O)c1CCN
InChIInChI=1S/C15H28N4O2/c1-2-3-4-5-6-7-8-9-12-19-13(10-11-16)14(15(20)21)17-18-19/h2-12,16H2,1H3,(H,20,21)
InChIKeyCVBYLXUBNWZSIT-UHFFFAOYSA-N
XLogP2.62
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-heptyl-5-propyltriazole-4-carboxylic acid
CID 62055253
5-butyl-1-pentyltriazole-4-carboxylic acid
CID 82205585
1-(2-aminoethyl)-5-propyltriazole-4-carboxylic acid
CID 62054059
5-(methoxymethyl)-1-octyltriazole-4-carboxylic acid
CID 102643235
5-butyl-1-(3-carboxypropyl)triazole-4-carboxylic acid
CID 82211959
1-hexyl-5-(2-phenoxyethyl)triazole-4-carboxylic acid
CID 94944045
1-decyl-5-methyltriazole-4-carboxylic acid
CID 55049001
5-amino-1-pentyltriazole-4-carboxylic acid
CID 129451116
5-(2-cyclohexylethyl)-1-pentyltriazole-4-carboxylic acid
CID 82205617
5-(2-aminoethyl)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid
CID 103118732
5-(2-aminoethyl)-1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
CID 103119231
1-(3-aminopropyl)-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643302

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1-decyltriazole-4-carboxylic acid?
The IUPAC name of 5-(2-aminoethyl)-1-decyltriazole-4-carboxylic acid (CID 103119120) is 5-(2-aminoethyl)-1-decyltriazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-aminoethyl)-1-decyltriazole-4-carboxylic acid?
The canonical SMILES for 5-(2-aminoethyl)-1-decyltriazole-4-carboxylic acid is CCCCCCCCCCn1nnc(C(=O)O)c1CCN.
What is the InChIKey of 5-(2-aminoethyl)-1-decyltriazole-4-carboxylic acid?
The InChIKey is CVBYLXUBNWZSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-2-3-4-5-6-7-8-9-12-19-13(10-11-16)14(15(20)21)17-18-19/h2-12,16H2,1H3,(H,20,21).
What are the key properties of 5-(2-aminoethyl)-1-decyltriazole-4-carboxylic acid?
5-(2-aminoethyl)-1-decyltriazole-4-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.62, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1-decyltriazole-4-carboxylic acid is sourced from PubChem (CID 103119120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).