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

C13H20N4 — CID 106544659

IUPAC5,6-diethyl-N-hex-5-ynyl-1,2,4-triazin-3-amine
SMILESC#CCCCCNc1nnc(CC)c(CC)n1
InChIInChI=1S/C13H20N4/c1-4-7-8-9-10-14-13-15-11(5-2)12(6-3)16-17-13/h1H,5-10H2,2-3H3,(H,14,15,17)
InChIKeyWWEPXBBUHJLLKF-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.21
Rot. Bonds7

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

5,6-diethyl-N-hex-5-ynyl-1,2,4-triazin-3-amine (PubChem CID 106544659) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 5,6-diethyl-N-hex-5-ynyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-hex-5-ynyl-1,2,4-triazin-3-amine
PubChem CID106544659
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name5,6-diethyl-N-hex-5-ynyl-1,2,4-triazin-3-amine
SMILESC#CCCCCNc1nnc(CC)c(CC)n1
InChIInChI=1S/C13H20N4/c1-4-7-8-9-10-14-13-15-11(5-2)12(6-3)16-17-13/h1H,5-10H2,2-3H3,(H,14,15,17)
InChIKeyWWEPXBBUHJLLKF-UHFFFAOYSA-N
XLogP2.21
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,6-diethyl-N-hex-5-ynyl-1,2,4-triazin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

N-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362658
5,6-diethyl-N-octyl-1,2,4-triazin-3-amine
CID 105362763
N'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine
CID 105362304
N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363386
6-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]hexanoic acid
CID 105362032
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
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
N-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 105362475

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-hex-5-ynyl-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-hex-5-ynyl-1,2,4-triazin-3-amine (CID 106544659) is 5,6-diethyl-N-hex-5-ynyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-hex-5-ynyl-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-hex-5-ynyl-1,2,4-triazin-3-amine is C#CCCCCNc1nnc(CC)c(CC)n1.
What is the InChIKey of 5,6-diethyl-N-hex-5-ynyl-1,2,4-triazin-3-amine?
The InChIKey is WWEPXBBUHJLLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-4-7-8-9-10-14-13-15-11(5-2)12(6-3)16-17-13/h1H,5-10H2,2-3H3,(H,14,15,17).
What are the key properties of 5,6-diethyl-N-hex-5-ynyl-1,2,4-triazin-3-amine?
5,6-diethyl-N-hex-5-ynyl-1,2,4-triazin-3-amine has a molecular weight of 232.33 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-hex-5-ynyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 106544659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).