4-ethyl-N-(4-hexyl-6-oxo-1H-triazin-5-yl)hexanamide

C17H30N4O2 — CID 152575913

IUPAC4-ethyl-N-(4-hexyl-6-oxo-1H-triazin-5-yl)hexanamide
SMILESCCCCCCc1nn[nH]c(=O)c1NC(=O)CCC(CC)CC
InChIInChI=1S/C17H30N4O2/c1-4-7-8-9-10-14-16(17(23)20-21-19-14)18-15(22)12-11-13(5-2)6-3/h13H,4-12H2,1-3H3,(H,18,21,22)(H,19,20,23)
InChIKeyYSLWADNKXHLZBT-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.44
Rot. Bonds11

About 4-ethyl-N-(4-hexyl-6-oxo-1H-triazin-5-yl)hexanamide

4-ethyl-N-(4-hexyl-6-oxo-1H-triazin-5-yl)hexanamide (PubChem CID 152575913) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 4-ethyl-N-(4-hexyl-6-oxo-1H-triazin-5-yl)hexanamide.

Molecular Properties

Compound Name4-ethyl-N-(4-hexyl-6-oxo-1H-triazin-5-yl)hexanamide
PubChem CID152575913
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name4-ethyl-N-(4-hexyl-6-oxo-1H-triazin-5-yl)hexanamide
SMILESCCCCCCc1nn[nH]c(=O)c1NC(=O)CCC(CC)CC
InChIInChI=1S/C17H30N4O2/c1-4-7-8-9-10-14-16(17(23)20-21-19-14)18-15(22)12-11-13(5-2)6-3/h13H,4-12H2,1-3H3,(H,18,21,22)(H,19,20,23)
InChIKeyYSLWADNKXHLZBT-UHFFFAOYSA-N
XLogP3.44
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-ethyl-N-(4-hexyl-6-oxo-1H-triazin-5-yl)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-ethylhexanoyl)-5-(hexylamino)-1H-triazin-6-one
CID 175895427
N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide
CID 100965559
N-(1-ethyl-6-hexyl-4-oxotriazin-5-yl)butanamide
CID 141284674
N-[2-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide
CID 101068768
N-[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide
CID 14619504
N-(2,3,4,5,6-pentafluorophenyl)undecanamide
CID 3554716
N-(2,5-dihydroxy-3,4,6-trimethylphenyl)undecanamide
CID 19788212
9-ethylundecane-4,6-dione
CID 175392725
5-ethylundecan-2-one
CID 90150873
5-(5-ethylundecyl)-2H-tetrazole
CID 129015561
N-(4-ethylhexyl)hexanamide
CID 155589140
7-ethylnonan-4-one
CID 537776

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-hexyl-6-oxo-1H-triazin-5-yl)hexanamide?
The IUPAC name of 4-ethyl-N-(4-hexyl-6-oxo-1H-triazin-5-yl)hexanamide (CID 152575913) is 4-ethyl-N-(4-hexyl-6-oxo-1H-triazin-5-yl)hexanamide.
What is the SMILES notation for 4-ethyl-N-(4-hexyl-6-oxo-1H-triazin-5-yl)hexanamide?
The canonical SMILES for 4-ethyl-N-(4-hexyl-6-oxo-1H-triazin-5-yl)hexanamide is CCCCCCc1nn[nH]c(=O)c1NC(=O)CCC(CC)CC.
What is the InChIKey of 4-ethyl-N-(4-hexyl-6-oxo-1H-triazin-5-yl)hexanamide?
The InChIKey is YSLWADNKXHLZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-4-7-8-9-10-14-16(17(23)20-21-19-14)18-15(22)12-11-13(5-2)6-3/h13H,4-12H2,1-3H3,(H,18,21,22)(H,19,20,23).
What are the key properties of 4-ethyl-N-(4-hexyl-6-oxo-1H-triazin-5-yl)hexanamide?
4-ethyl-N-(4-hexyl-6-oxo-1H-triazin-5-yl)hexanamide has a molecular weight of 322.45 g/mol, XLogP of 3.44, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-hexyl-6-oxo-1H-triazin-5-yl)hexanamide is sourced from PubChem (CID 152575913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).