5-amino-1-pentyltriazole-4-carboxylic acid

C8H14N4O2 — CID 129451116

IUPAC5-amino-1-pentyltriazole-4-carboxylic acid
SMILESCCCCCn1nnc(C(=O)O)c1N
InChIInChI=1S/C8H14N4O2/c1-2-3-4-5-12-7(9)6(8(13)14)10-11-12/h2-5,9H2,1H3,(H,13,14)
InChIKeyGWOLOBPSKKRXMM-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.75
Rot. Bonds5

About 5-amino-1-pentyltriazole-4-carboxylic acid

5-amino-1-pentyltriazole-4-carboxylic acid (PubChem CID 129451116) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 5-amino-1-pentyltriazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-pentyltriazole-4-carboxylic acid
PubChem CID129451116
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name5-amino-1-pentyltriazole-4-carboxylic acid
SMILESCCCCCn1nnc(C(=O)O)c1N
InChIInChI=1S/C8H14N4O2/c1-2-3-4-5-12-7(9)6(8(13)14)10-11-12/h2-5,9H2,1H3,(H,13,14)
InChIKeyGWOLOBPSKKRXMM-UHFFFAOYSA-N
XLogP0.75
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.75
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-decyl-5-methyltriazole-4-carboxylic acid
CID 55049001
5-butyl-1-pentyltriazole-4-carboxylic acid
CID 82205585
1-heptyl-5-propyltriazole-4-carboxylic acid
CID 62055253
5-(2-aminoethyl)-1-decyltriazole-4-carboxylic acid
CID 103119120
5-tert-butyl-1-heptyltriazole-4-carboxylic acid
CID 62059786
5-(methoxymethyl)-1-octyltriazole-4-carboxylic acid
CID 102643235
1-butyl-5-phenyltriazole-4-carboxylic acid
CID 82205223
5-butyl-1-(3-carboxypropyl)triazole-4-carboxylic acid
CID 82211959
1-heptyl-5-(1-methylimidazol-2-yl)triazole-4-carboxylic acid
CID 103116060
1-heptyl-5-(4-methoxyphenyl)triazole-4-carboxylic acid
CID 98824349
5-(2-cyclohexylethyl)-1-pentyltriazole-4-carboxylic acid
CID 82205617
1-hexyl-5-(4-methoxyphenyl)triazole-4-carboxylic acid
CID 82205928

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-pentyltriazole-4-carboxylic acid?
The IUPAC name of 5-amino-1-pentyltriazole-4-carboxylic acid (CID 129451116) is 5-amino-1-pentyltriazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-1-pentyltriazole-4-carboxylic acid?
The canonical SMILES for 5-amino-1-pentyltriazole-4-carboxylic acid is CCCCCn1nnc(C(=O)O)c1N.
What is the InChIKey of 5-amino-1-pentyltriazole-4-carboxylic acid?
The InChIKey is GWOLOBPSKKRXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-2-3-4-5-12-7(9)6(8(13)14)10-11-12/h2-5,9H2,1H3,(H,13,14).
What are the key properties of 5-amino-1-pentyltriazole-4-carboxylic acid?
5-amino-1-pentyltriazole-4-carboxylic acid has a molecular weight of 198.23 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-pentyltriazole-4-carboxylic acid is sourced from PubChem (CID 129451116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).