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

C10H14N4S — CID 104924411

IUPAC5,6-dimethyl-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-triazin-3-amine
SMILESC#CCSCCNc1nnc(C)c(C)n1
InChIInChI=1S/C10H14N4S/c1-4-6-15-7-5-11-10-12-8(2)9(3)13-14-10/h1H,5-7H2,2-3H3,(H,11,12,14)
InChIKeyAYCJKZRHKMOMLX-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.27
Rot. Bonds5

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

5,6-dimethyl-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-triazin-3-amine (PubChem CID 104924411) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 5,6-dimethyl-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-triazin-3-amine
PubChem CID104924411
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name5,6-dimethyl-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-triazin-3-amine
SMILESC#CCSCCNc1nnc(C)c(C)n1
InChIInChI=1S/C10H14N4S/c1-4-6-15-7-5-11-10-12-8(2)9(3)13-14-10/h1H,5-7H2,2-3H3,(H,11,12,14)
InChIKeyAYCJKZRHKMOMLX-UHFFFAOYSA-N
XLogP1.27
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-dimethyl-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-triazin-3-amine (CID 104924411) is 5,6-dimethyl-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-dimethyl-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-dimethyl-N-(2-prop-2-ynylsulfanylethyl)-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-ynylsulfanylethyl)-1,2,4-triazin-3-amine?
The InChIKey is AYCJKZRHKMOMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-4-6-15-7-5-11-10-12-8(2)9(3)13-14-10/h1H,5-7H2,2-3H3,(H,11,12,14).
What are the key properties of 5,6-dimethyl-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-triazin-3-amine?
5,6-dimethyl-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-triazin-3-amine has a molecular weight of 222.32 g/mol, XLogP of 1.27, 5 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-ynylsulfanylethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 104924411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).