6-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]hexanoic acid

C13H22N4O2 — CID 105362032

IUPAC6-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]hexanoic acid
SMILESCCc1nnc(NCCCCCC(=O)O)nc1CC
InChIInChI=1S/C13H22N4O2/c1-3-10-11(4-2)16-17-13(15-10)14-9-7-5-6-8-12(18)19/h3-9H2,1-2H3,(H,18,19)(H,14,15,17)
InChIKeyGKTXTISLNMCELX-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.05
Rot. Bonds9

About 6-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]hexanoic acid

6-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]hexanoic acid (PubChem CID 105362032) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]hexanoic acid
PubChem CID105362032
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name6-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]hexanoic acid
SMILESCCc1nnc(NCCCCCC(=O)O)nc1CC
InChIInChI=1S/C13H22N4O2/c1-3-10-11(4-2)16-17-13(15-10)14-9-7-5-6-8-12(18)19/h3-9H2,1-2H3,(H,18,19)(H,14,15,17)
InChIKeyGKTXTISLNMCELX-UHFFFAOYSA-N
XLogP2.05
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,6-diethyl-N-octyl-1,2,4-triazin-3-amine
CID 105362763
3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide
CID 105362431
5,6-diethyl-N-hex-5-ynyl-1,2,4-triazin-3-amine
CID 106544659
4-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoyl-methylamino]butanoic acid
CID 114388532
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]acetamide
CID 105362361
N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363386
6-[[4-(5-carboxypentylamino)-6-ethoxy-1,3,5-triazin-2-yl]amino]hexanoic acid
CID 19427575
5,6-diethyl-N-(2-methylsulfanylethyl)-1,2,4-triazin-3-amine
CID 105362652
5,6-diethyl-N-(3-phenoxypropyl)-1,2,4-triazin-3-amine
CID 105362593
N-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]methanesulfonamide
CID 105362429
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

Frequently Asked Questions

What is the IUPAC name of 6-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]hexanoic acid?
The IUPAC name of 6-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]hexanoic acid (CID 105362032) is 6-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]hexanoic acid.
What is the SMILES notation for 6-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]hexanoic acid?
The canonical SMILES for 6-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]hexanoic acid is CCc1nnc(NCCCCCC(=O)O)nc1CC.
What is the InChIKey of 6-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]hexanoic acid?
The InChIKey is GKTXTISLNMCELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-10-11(4-2)16-17-13(15-10)14-9-7-5-6-8-12(18)19/h3-9H2,1-2H3,(H,18,19)(H,14,15,17).
What are the key properties of 6-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]hexanoic acid?
6-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]hexanoic acid has a molecular weight of 266.34 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]hexanoic acid is sourced from PubChem (CID 105362032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).