N,N-dihexyl-2H-triazole-4-carboxamide

C15H28N4O — CID 112733489

IUPACN,N-dihexyl-2H-triazole-4-carboxamide
SMILESCCCCCCN(CCCCCC)C(=O)c1cn[nH]n1
InChIInChI=1S/C15H28N4O/c1-3-5-7-9-11-19(12-10-8-6-4-2)15(20)14-13-16-18-17-14/h13H,3-12H2,1-2H3,(H,16,17,18)
InChIKeySOZXJQFZYRBJPA-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.41
Rot. Bonds11

About N,N-dihexyl-2H-triazole-4-carboxamide

N,N-dihexyl-2H-triazole-4-carboxamide (PubChem CID 112733489) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N,N-dihexyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dihexyl-2H-triazole-4-carboxamide
PubChem CID112733489
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN,N-dihexyl-2H-triazole-4-carboxamide
SMILESCCCCCCN(CCCCCC)C(=O)c1cn[nH]n1
InChIInChI=1S/C15H28N4O/c1-3-5-7-9-11-19(12-10-8-6-4-2)15(20)14-13-16-18-17-14/h13H,3-12H2,1-2H3,(H,16,17,18)
InChIKeySOZXJQFZYRBJPA-UHFFFAOYSA-N
XLogP3.41
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-N-ethyl-2H-triazole-4-carboxamide
CID 102978833
2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide
CID 4094249
N-butan-2-yl-N-butyl-2H-triazole-4-carboxamide
CID 78954217
3-[ethyl(2H-triazole-4-carbonyl)amino]propanoic acid
CID 63283146
N-ethyl-N-(2-methoxyethyl)-2H-triazole-4-carboxamide
CID 112733352
N,N-dipentyl-1H-imidazole-5-carboxamide
CID 25129631
5-chloro-N-heptyl-N-(3-hydroxypropyl)pyrazine-2-carboxamide
CID 107258440
2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide
CID 62788074
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2H-triazole-4-carboxamide
CID 107491755
N-propyl-2H-triazole-4-carboxamide
CID 54219715
5-bromo-N,N-dihexylpyridine-3-carboxamide
CID 132587531
6-(1H-benzimidazol-2-yl)-N,N-dioctylpyridine-2-carboxamide
CID 102164752

Frequently Asked Questions

What is the IUPAC name of N,N-dihexyl-2H-triazole-4-carboxamide?
The IUPAC name of N,N-dihexyl-2H-triazole-4-carboxamide (CID 112733489) is N,N-dihexyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N,N-dihexyl-2H-triazole-4-carboxamide?
The canonical SMILES for N,N-dihexyl-2H-triazole-4-carboxamide is CCCCCCN(CCCCCC)C(=O)c1cn[nH]n1.
What is the InChIKey of N,N-dihexyl-2H-triazole-4-carboxamide?
The InChIKey is SOZXJQFZYRBJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-3-5-7-9-11-19(12-10-8-6-4-2)15(20)14-13-16-18-17-14/h13H,3-12H2,1-2H3,(H,16,17,18).
What are the key properties of N,N-dihexyl-2H-triazole-4-carboxamide?
N,N-dihexyl-2H-triazole-4-carboxamide has a molecular weight of 280.42 g/mol, XLogP of 3.41, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 112733489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).