5,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-triazin-3-amine

C10H16N4S — CID 104924082

IUPAC5,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-triazin-3-amine
SMILESC=CCSCCNc1nnc(C)c(C)n1
InChIInChI=1S/C10H16N4S/c1-4-6-15-7-5-11-10-12-8(2)9(3)13-14-10/h4H,1,5-7H2,2-3H3,(H,11,12,14)
InChIKeyGVMSPNSZJLZRBV-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.82
Rot. Bonds6

About 5,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-triazin-3-amine

5,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-triazin-3-amine (PubChem CID 104924082) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 5,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-triazin-3-amine
PubChem CID104924082
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name5,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-triazin-3-amine
SMILESC=CCSCCNc1nnc(C)c(C)n1
InChIInChI=1S/C10H16N4S/c1-4-6-15-7-5-11-10-12-8(2)9(3)13-14-10/h4H,1,5-7H2,2-3H3,(H,11,12,14)
InChIKeyGVMSPNSZJLZRBV-UHFFFAOYSA-N
XLogP1.82
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-triazin-3-amine (CID 104924082) is 5,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-triazin-3-amine is C=CCSCCNc1nnc(C)c(C)n1.
What is the InChIKey of 5,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-triazin-3-amine?
The InChIKey is GVMSPNSZJLZRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-4-6-15-7-5-11-10-12-8(2)9(3)13-14-10/h4H,1,5-7H2,2-3H3,(H,11,12,14).
What are the key properties of 5,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-triazin-3-amine?
5,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-triazin-3-amine has a molecular weight of 224.33 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 104924082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).