2-hexadecanoyl-1,2,4-triazole-3-carboxamide

C19H34N4O2 — CID 71383350

IUPAC2-hexadecanoyl-1,2,4-triazole-3-carboxamide
SMILESCCCCCCCCCCCCCCCC(=O)n1ncnc1C(N)=O
InChIInChI=1S/C19H34N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(24)23-19(18(20)25)21-16-22-23/h16H,2-15H2,1H3,(H2,20,25)
InChIKeyYMOWLAJKICJWRS-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.50
Rot. Bonds15

About 2-hexadecanoyl-1,2,4-triazole-3-carboxamide

2-hexadecanoyl-1,2,4-triazole-3-carboxamide (PubChem CID 71383350) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-hexadecanoyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name2-hexadecanoyl-1,2,4-triazole-3-carboxamide
PubChem CID71383350
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC Name2-hexadecanoyl-1,2,4-triazole-3-carboxamide
SMILESCCCCCCCCCCCCCCCC(=O)n1ncnc1C(N)=O
InChIInChI=1S/C19H34N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(24)23-19(18(20)25)21-16-22-23/h16H,2-15H2,1H3,(H2,20,25)
InChIKeyYMOWLAJKICJWRS-UHFFFAOYSA-N
XLogP4.50
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethyl-1,2,4-triazol-3-yl)heptan-1-one
CID 165348695
1-(3,5-dimethylpyrazol-1-yl)nonan-1-one
CID 3287387
1-(1,2,4-triazol-1-yl)octadecan-1-one
CID 550756
tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
benzene-1,4-dicarboxamide;undecanamide
CID 175165478
2-pentadecanoylphthalazin-1-one
CID 139700685
octadecanamide;hydrochloride
CID 87891779
butane;octanamide
CID 87511414
octadecanamide;zinc
CID 87169213
1-(2,5-dihydroxypyrrol-1-yl)nonan-1-one
CID 54432084

Frequently Asked Questions

What is the IUPAC name of 2-hexadecanoyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 2-hexadecanoyl-1,2,4-triazole-3-carboxamide (CID 71383350) is 2-hexadecanoyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 2-hexadecanoyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 2-hexadecanoyl-1,2,4-triazole-3-carboxamide is CCCCCCCCCCCCCCCC(=O)n1ncnc1C(N)=O.
What is the InChIKey of 2-hexadecanoyl-1,2,4-triazole-3-carboxamide?
The InChIKey is YMOWLAJKICJWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(24)23-19(18(20)25)21-16-22-23/h16H,2-15H2,1H3,(H2,20,25).
What are the key properties of 2-hexadecanoyl-1,2,4-triazole-3-carboxamide?
2-hexadecanoyl-1,2,4-triazole-3-carboxamide has a molecular weight of 350.51 g/mol, XLogP of 4.50, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecanoyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 71383350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).