5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide

C15H20N4O3 — CID 169402811

IUPAC5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide
SMILESCCCCCOc1ccc(-c2n[nH]nc2C(N)=O)cc1OC
InChIInChI=1S/C15H20N4O3/c1-3-4-5-8-22-11-7-6-10(9-12(11)21-2)13-14(15(16)20)18-19-17-13/h6-7,9H,3-5,8H2,1-2H3,(H2,16,20)(H,17,18,19)
InChIKeyVAHMYVRDOGNJGV-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.15
Rot. Bonds8

About 5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide

5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide (PubChem CID 169402811) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide
PubChem CID169402811
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide
SMILESCCCCCOc1ccc(-c2n[nH]nc2C(N)=O)cc1OC
InChIInChI=1S/C15H20N4O3/c1-3-4-5-8-22-11-7-6-10(9-12(11)21-2)13-14(15(16)20)18-19-17-13/h6-7,9H,3-5,8H2,1-2H3,(H2,16,20)(H,17,18,19)
InChIKeyVAHMYVRDOGNJGV-UHFFFAOYSA-N
XLogP2.15
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.15
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

ethyl 5-(4-hexoxy-3-methoxyphenyl)-2H-triazole-4-carboxylate
CID 169400179
5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402032
ethyl 4-[5-(5-carbamoyl-2H-triazol-4-yl)-2-methoxyphenoxy]butanoate
CID 169403958
5-(4-butoxy-3-fluorophenyl)-2H-triazole-4-carboxamide
CID 169402524
5-(3-methyl-4-propoxyphenyl)-2H-triazole-4-carboxamide
CID 169402490
5-(4-octoxyphenyl)-2H-triazole-4-carboxamide
CID 169402171
ethyl 5-[3-(3-chloropropoxy)-4-methoxyphenyl]-2H-triazole-4-carboxylate
CID 169401727
ethyl 5-(4-butoxy-3-ethoxyphenyl)-2H-triazole-4-carboxylate
CID 169399810
5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403821
5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081
ethyl 5-(3-chloro-4-pentoxyphenyl)-2H-triazole-4-carboxylate
CID 169399485
5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169402338

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide (CID 169402811) is 5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide is CCCCCOc1ccc(-c2n[nH]nc2C(N)=O)cc1OC.
What is the InChIKey of 5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide?
The InChIKey is VAHMYVRDOGNJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-3-4-5-8-22-11-7-6-10(9-12(11)21-2)13-14(15(16)20)18-19-17-13/h6-7,9H,3-5,8H2,1-2H3,(H2,16,20)(H,17,18,19).
What are the key properties of 5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide?
5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).