5,6-diethyl-N-octyl-1,2,4-triazin-3-amine

C15H28N4 — CID 105362763

IUPAC5,6-diethyl-N-octyl-1,2,4-triazin-3-amine
SMILESCCCCCCCCNc1nnc(CC)c(CC)n1
InChIInChI=1S/C15H28N4/c1-4-7-8-9-10-11-12-16-15-17-13(5-2)14(6-3)18-19-15/h4-12H2,1-3H3,(H,16,17,19)
InChIKeyLNGYXKIIRGYFRZ-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.77
Rot. Bonds10

About 5,6-diethyl-N-octyl-1,2,4-triazin-3-amine

5,6-diethyl-N-octyl-1,2,4-triazin-3-amine (PubChem CID 105362763) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 5,6-diethyl-N-octyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-octyl-1,2,4-triazin-3-amine
PubChem CID105362763
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name5,6-diethyl-N-octyl-1,2,4-triazin-3-amine
SMILESCCCCCCCCNc1nnc(CC)c(CC)n1
InChIInChI=1S/C15H28N4/c1-4-7-8-9-10-11-12-16-15-17-13(5-2)14(6-3)18-19-15/h4-12H2,1-3H3,(H,16,17,19)
InChIKeyLNGYXKIIRGYFRZ-UHFFFAOYSA-N
XLogP3.77
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine
CID 105362304
6-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]hexanoic acid
CID 105362032
5,6-diethyl-N-hex-5-ynyl-1,2,4-triazin-3-amine
CID 106544659
N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363386
5,6-diethyl-N-(2-methylsulfanylethyl)-1,2,4-triazin-3-amine
CID 105362652
N-[3-(2-aminoethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 106308253
N-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362658
N-dodecyl-6-methylsulfanyl-1,2,4,5-tetrazin-3-amine
CID 110192063
1-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine
CID 105362989
3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide
CID 105362431
5,6-diethyl-N-(3-phenoxypropyl)-1,2,4-triazin-3-amine
CID 105362593
5,6-diethyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-triazin-3-amine
CID 105362808

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-octyl-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-octyl-1,2,4-triazin-3-amine (CID 105362763) is 5,6-diethyl-N-octyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-octyl-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-octyl-1,2,4-triazin-3-amine is CCCCCCCCNc1nnc(CC)c(CC)n1.
What is the InChIKey of 5,6-diethyl-N-octyl-1,2,4-triazin-3-amine?
The InChIKey is LNGYXKIIRGYFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-7-8-9-10-11-12-16-15-17-13(5-2)14(6-3)18-19-15/h4-12H2,1-3H3,(H,16,17,19).
What are the key properties of 5,6-diethyl-N-octyl-1,2,4-triazin-3-amine?
5,6-diethyl-N-octyl-1,2,4-triazin-3-amine has a molecular weight of 264.42 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-octyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).