N-(1,6-diethyl-5-hexyl-2H-triazin-4-yl)butanamide

C17H32N4O — CID 66790818

IUPACN-(1,6-diethyl-5-hexyl-2H-triazin-4-yl)butanamide
SMILESCCCCCCC1=C(CC)N(CC)NN=C1NC(=O)CCC
InChIInChI=1S/C17H32N4O/c1-5-9-10-11-13-14-15(7-3)21(8-4)20-19-17(14)18-16(22)12-6-2/h20H,5-13H2,1-4H3,(H,18,19,22)
InChIKeyASHAYILRHJPCAV-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.69
Rot. Bonds9

About N-(1,6-diethyl-5-hexyl-2H-triazin-4-yl)butanamide

N-(1,6-diethyl-5-hexyl-2H-triazin-4-yl)butanamide (PubChem CID 66790818) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is N-(1,6-diethyl-5-hexyl-2H-triazin-4-yl)butanamide.

Molecular Properties

Compound NameN-(1,6-diethyl-5-hexyl-2H-triazin-4-yl)butanamide
PubChem CID66790818
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC NameN-(1,6-diethyl-5-hexyl-2H-triazin-4-yl)butanamide
SMILESCCCCCCC1=C(CC)N(CC)NN=C1NC(=O)CCC
InChIInChI=1S/C17H32N4O/c1-5-9-10-11-13-14-15(7-3)21(8-4)20-19-17(14)18-16(22)12-6-2/h20H,5-13H2,1-4H3,(H,18,19,22)
InChIKeyASHAYILRHJPCAV-UHFFFAOYSA-N
XLogP3.69
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethyl-6-hexyl-4-oxotriazin-5-yl)butanamide
CID 141284674
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
N-(4-hydroxy-5-tetradecyl-1,2-oxazol-3-yl)butanamide
CID 23042770
N-[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide
CID 14619504
N-[(Z)-12-(2H-tetrazol-5-yl)dodec-5-enyl]heptanamide
CID 118528577
N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide
CID 11038419
N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide
CID 101442784
N-(1H-1,2,4-triazol-5-yl)butanamide
CID 5020131
N-(1,6-diethyl-4-oxotriazin-5-yl)decanamide
CID 175014622
N-(4-methyl-1H-pyrazol-5-yl)nonanamide
CID 112691253
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
5-oxo-N-(1H-1,2,4-triazol-5-yl)dodecanamide
CID 56696523

Frequently Asked Questions

What is the IUPAC name of N-(1,6-diethyl-5-hexyl-2H-triazin-4-yl)butanamide?
The IUPAC name of N-(1,6-diethyl-5-hexyl-2H-triazin-4-yl)butanamide (CID 66790818) is N-(1,6-diethyl-5-hexyl-2H-triazin-4-yl)butanamide.
What is the SMILES notation for N-(1,6-diethyl-5-hexyl-2H-triazin-4-yl)butanamide?
The canonical SMILES for N-(1,6-diethyl-5-hexyl-2H-triazin-4-yl)butanamide is CCCCCCC1=C(CC)N(CC)NN=C1NC(=O)CCC.
What is the InChIKey of N-(1,6-diethyl-5-hexyl-2H-triazin-4-yl)butanamide?
The InChIKey is ASHAYILRHJPCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O/c1-5-9-10-11-13-14-15(7-3)21(8-4)20-19-17(14)18-16(22)12-6-2/h20H,5-13H2,1-4H3,(H,18,19,22).
What are the key properties of N-(1,6-diethyl-5-hexyl-2H-triazin-4-yl)butanamide?
N-(1,6-diethyl-5-hexyl-2H-triazin-4-yl)butanamide has a molecular weight of 308.47 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,6-diethyl-5-hexyl-2H-triazin-4-yl)butanamide is sourced from PubChem (CID 66790818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).