N-(1-ethyl-6-hexyl-4-oxotriazin-5-yl)butanamide

C15H26N4O2 — CID 141284674

IUPACN-(1-ethyl-6-hexyl-4-oxotriazin-5-yl)butanamide
SMILESCCCCCCc1c(NC(=O)CCC)c(=O)nnn1CC
InChIInChI=1S/C15H26N4O2/c1-4-7-8-9-11-12-14(16-13(20)10-5-2)15(21)17-18-19(12)6-3/h4-11H2,1-3H3,(H,16,20)
InChIKeyWLPMCAIDMQXVFK-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.52
Rot. Bonds9

About N-(1-ethyl-6-hexyl-4-oxotriazin-5-yl)butanamide

N-(1-ethyl-6-hexyl-4-oxotriazin-5-yl)butanamide (PubChem CID 141284674) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(1-ethyl-6-hexyl-4-oxotriazin-5-yl)butanamide.

Molecular Properties

Compound NameN-(1-ethyl-6-hexyl-4-oxotriazin-5-yl)butanamide
PubChem CID141284674
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-(1-ethyl-6-hexyl-4-oxotriazin-5-yl)butanamide
SMILESCCCCCCc1c(NC(=O)CCC)c(=O)nnn1CC
InChIInChI=1S/C15H26N4O2/c1-4-7-8-9-11-12-14(16-13(20)10-5-2)15(21)17-18-19(12)6-3/h4-11H2,1-3H3,(H,16,20)
InChIKeyWLPMCAIDMQXVFK-UHFFFAOYSA-N
XLogP2.52
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.52
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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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-hexyl-4-oxotriazin-5-yl)butanamide?
The IUPAC name of N-(1-ethyl-6-hexyl-4-oxotriazin-5-yl)butanamide (CID 141284674) is N-(1-ethyl-6-hexyl-4-oxotriazin-5-yl)butanamide.
What is the SMILES notation for N-(1-ethyl-6-hexyl-4-oxotriazin-5-yl)butanamide?
The canonical SMILES for N-(1-ethyl-6-hexyl-4-oxotriazin-5-yl)butanamide is CCCCCCc1c(NC(=O)CCC)c(=O)nnn1CC.
What is the InChIKey of N-(1-ethyl-6-hexyl-4-oxotriazin-5-yl)butanamide?
The InChIKey is WLPMCAIDMQXVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-4-7-8-9-11-12-14(16-13(20)10-5-2)15(21)17-18-19(12)6-3/h4-11H2,1-3H3,(H,16,20).
What are the key properties of N-(1-ethyl-6-hexyl-4-oxotriazin-5-yl)butanamide?
N-(1-ethyl-6-hexyl-4-oxotriazin-5-yl)butanamide has a molecular weight of 294.40 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-hexyl-4-oxotriazin-5-yl)butanamide is sourced from PubChem (CID 141284674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).