5,6-diethyl-N-(2-methylsulfanylethyl)-1,2,4-triazin-3-amine

C10H18N4S — CID 105362652

IUPAC5,6-diethyl-N-(2-methylsulfanylethyl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCSC)nc1CC
InChIInChI=1S/C10H18N4S/c1-4-8-9(5-2)13-14-10(12-8)11-6-7-15-3/h4-7H2,1-3H3,(H,11,12,14)
InChIKeyKPUMRKDKDNQOCS-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.77
Rot. Bonds6

About 5,6-diethyl-N-(2-methylsulfanylethyl)-1,2,4-triazin-3-amine

5,6-diethyl-N-(2-methylsulfanylethyl)-1,2,4-triazin-3-amine (PubChem CID 105362652) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 5,6-diethyl-N-(2-methylsulfanylethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-(2-methylsulfanylethyl)-1,2,4-triazin-3-amine
PubChem CID105362652
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name5,6-diethyl-N-(2-methylsulfanylethyl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCSC)nc1CC
InChIInChI=1S/C10H18N4S/c1-4-8-9(5-2)13-14-10(12-8)11-6-7-15-3/h4-7H2,1-3H3,(H,11,12,14)
InChIKeyKPUMRKDKDNQOCS-UHFFFAOYSA-N
XLogP1.77
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363386
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-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362658
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-(5,6-diethyl-1,2,4-triazin-3-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 105362365
N-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]methanesulfonamide
CID 105362429
5,6-diethyl-N-hex-5-ynyl-1,2,4-triazin-3-amine
CID 106544659
5,6-diethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine
CID 106544157
5,6-diethyl-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine
CID 105362879
N-[3-(2-aminoethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 106308253

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-(2-methylsulfanylethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-(2-methylsulfanylethyl)-1,2,4-triazin-3-amine (CID 105362652) is 5,6-diethyl-N-(2-methylsulfanylethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-(2-methylsulfanylethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-(2-methylsulfanylethyl)-1,2,4-triazin-3-amine is CCc1nnc(NCCSC)nc1CC.
What is the InChIKey of 5,6-diethyl-N-(2-methylsulfanylethyl)-1,2,4-triazin-3-amine?
The InChIKey is KPUMRKDKDNQOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-4-8-9(5-2)13-14-10(12-8)11-6-7-15-3/h4-7H2,1-3H3,(H,11,12,14).
What are the key properties of 5,6-diethyl-N-(2-methylsulfanylethyl)-1,2,4-triazin-3-amine?
5,6-diethyl-N-(2-methylsulfanylethyl)-1,2,4-triazin-3-amine has a molecular weight of 226.35 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-(2-methylsulfanylethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).