5-[2-(pentoxymethyl)phenyl]-2H-triazole-4-carboxamide

C15H20N4O2 — CID 169402571

IUPAC5-[2-(pentoxymethyl)phenyl]-2H-triazole-4-carboxamide
SMILESCCCCCOCc1ccccc1-c1n[nH]nc1C(N)=O
InChIInChI=1S/C15H20N4O2/c1-2-3-6-9-21-10-11-7-4-5-8-12(11)13-14(15(16)20)18-19-17-13/h4-5,7-8H,2-3,6,9-10H2,1H3,(H2,16,20)(H,17,18,19)
InChIKeyUUSQJLARVJTOTM-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.28
Rot. Bonds8

About 5-[2-(pentoxymethyl)phenyl]-2H-triazole-4-carboxamide

5-[2-(pentoxymethyl)phenyl]-2H-triazole-4-carboxamide (PubChem CID 169402571) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-[2-(pentoxymethyl)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-(pentoxymethyl)phenyl]-2H-triazole-4-carboxamide
PubChem CID169402571
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-[2-(pentoxymethyl)phenyl]-2H-triazole-4-carboxamide
SMILESCCCCCOCc1ccccc1-c1n[nH]nc1C(N)=O
InChIInChI=1S/C15H20N4O2/c1-2-3-6-9-21-10-11-7-4-5-8-12(11)13-14(15(16)20)18-19-17-13/h4-5,7-8H,2-3,6,9-10H2,1H3,(H2,16,20)(H,17,18,19)
InChIKeyUUSQJLARVJTOTM-UHFFFAOYSA-N
XLogP2.28
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[2-(pentoxymethyl)phenyl]-2H-triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-octoxyphenyl)-2H-triazole-4-carboxamide
CID 169402171
ethyl 5-[2-(butoxymethyl)-4-fluorophenyl]-2H-triazole-4-carboxylate
CID 169399756
5-[2-[(2-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169402786
2-[2-(pentoxymethyl)phenyl]acetohydrazide
CID 115465239
2-amino-4-[2-(hexoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405574
ethyl 5-[2-(butan-2-yloxymethyl)phenyl]-2H-triazole-4-carboxylate
CID 169399574
5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide
CID 169402811
5-(2,3-dimethylphenyl)-2H-triazole-4-carboxamide
CID 169402107
3-(pentoxymethyl)pyridine-2-carbothioamide
CID 62894304
2,4-diamino-6-[2-(pentoxymethyl)phenyl]pyrimidine-5-carbonitrile
CID 169396591
dimethyl 3-[2-(hexoxymethyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169387866
N-[4-[[2-[2-[4-[decyl(methyl)amino]butoxymethyl]phenyl]phenyl]methoxy]butyl]-N-methyldecan-1-amine
CID 139954811

Frequently Asked Questions

What is the IUPAC name of 5-[2-(pentoxymethyl)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[2-(pentoxymethyl)phenyl]-2H-triazole-4-carboxamide (CID 169402571) is 5-[2-(pentoxymethyl)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[2-(pentoxymethyl)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[2-(pentoxymethyl)phenyl]-2H-triazole-4-carboxamide is CCCCCOCc1ccccc1-c1n[nH]nc1C(N)=O.
What is the InChIKey of 5-[2-(pentoxymethyl)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is UUSQJLARVJTOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-3-6-9-21-10-11-7-4-5-8-12(11)13-14(15(16)20)18-19-17-13/h4-5,7-8H,2-3,6,9-10H2,1H3,(H2,16,20)(H,17,18,19).
What are the key properties of 5-[2-(pentoxymethyl)phenyl]-2H-triazole-4-carboxamide?
5-[2-(pentoxymethyl)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(pentoxymethyl)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).