N'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine

C11H21N5 — CID 105362304

IUPACN'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine
SMILESCCc1nnc(NCCCCN)nc1CC
InChIInChI=1S/C11H21N5/c1-3-9-10(4-2)15-16-11(14-9)13-8-6-5-7-12/h3-8,12H2,1-2H3,(H,13,14,16)
InChIKeyYXPMAFGGHULBHE-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.15
Rot. Bonds7

About N'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine

N'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine (PubChem CID 105362304) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine
PubChem CID105362304
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine
SMILESCCc1nnc(NCCCCN)nc1CC
InChIInChI=1S/C11H21N5/c1-3-9-10(4-2)15-16-11(14-9)13-8-6-5-7-12/h3-8,12H2,1-2H3,(H,13,14,16)
InChIKeyYXPMAFGGHULBHE-UHFFFAOYSA-N
XLogP1.15
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.15
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
N-[3-(2-aminoethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 106308253
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
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
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
N-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]methanesulfonamide
CID 105362429
N-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362658
5,6-diethyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-triazin-3-amine
CID 105362808
5,6-diethyl-N-(3-phenoxypropyl)-1,2,4-triazin-3-amine
CID 105362593

Frequently Asked Questions

What is the IUPAC name of N'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine?
The IUPAC name of N'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine (CID 105362304) is N'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine.
What is the SMILES notation for N'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine?
The canonical SMILES for N'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine is CCc1nnc(NCCCCN)nc1CC.
What is the InChIKey of N'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine?
The InChIKey is YXPMAFGGHULBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-3-9-10(4-2)15-16-11(14-9)13-8-6-5-7-12/h3-8,12H2,1-2H3,(H,13,14,16).
What are the key properties of N'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine?
N'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine is sourced from PubChem (CID 105362304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).