4-(dimethylamino)-2,5,5-trimethyl-1,2,4-triazolidine-3-thione

C7H16N4S — CID 15647629

IUPAC4-(dimethylamino)-2,5,5-trimethyl-1,2,4-triazolidine-3-thione
SMILESCN1NC(C)(C)N(N(C)C)C1=S
InChIInChI=1S/C7H16N4S/c1-7(2)8-10(5)6(12)11(7)9(3)4/h8H,1-5H3
InChIKeyCLIMCROYQMAESX-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.24
Rot. Bonds1

About 4-(dimethylamino)-2,5,5-trimethyl-1,2,4-triazolidine-3-thione

4-(dimethylamino)-2,5,5-trimethyl-1,2,4-triazolidine-3-thione (PubChem CID 15647629) has the molecular formula C7H16N4S and a molecular weight of 188.30 g/mol. Its IUPAC name is 4-(dimethylamino)-2,5,5-trimethyl-1,2,4-triazolidine-3-thione.

Molecular Properties

Compound Name4-(dimethylamino)-2,5,5-trimethyl-1,2,4-triazolidine-3-thione
PubChem CID15647629
Molecular FormulaC7H16N4S
Molecular Weight188.30 g/mol
Exact Mass188.11
IUPAC Name4-(dimethylamino)-2,5,5-trimethyl-1,2,4-triazolidine-3-thione
SMILESCN1NC(C)(C)N(N(C)C)C1=S
InChIInChI=1S/C7H16N4S/c1-7(2)8-10(5)6(12)11(7)9(3)4/h8H,1-5H3
InChIKeyCLIMCROYQMAESX-UHFFFAOYSA-N
XLogP0.24
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2,5,5-trimethyl-1,2,4-triazolidine-3-thione?
The IUPAC name of 4-(dimethylamino)-2,5,5-trimethyl-1,2,4-triazolidine-3-thione (CID 15647629) is 4-(dimethylamino)-2,5,5-trimethyl-1,2,4-triazolidine-3-thione.
What is the SMILES notation for 4-(dimethylamino)-2,5,5-trimethyl-1,2,4-triazolidine-3-thione?
The canonical SMILES for 4-(dimethylamino)-2,5,5-trimethyl-1,2,4-triazolidine-3-thione is CN1NC(C)(C)N(N(C)C)C1=S.
What is the InChIKey of 4-(dimethylamino)-2,5,5-trimethyl-1,2,4-triazolidine-3-thione?
The InChIKey is CLIMCROYQMAESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4S/c1-7(2)8-10(5)6(12)11(7)9(3)4/h8H,1-5H3.
What are the key properties of 4-(dimethylamino)-2,5,5-trimethyl-1,2,4-triazolidine-3-thione?
4-(dimethylamino)-2,5,5-trimethyl-1,2,4-triazolidine-3-thione has a molecular weight of 188.30 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2,5,5-trimethyl-1,2,4-triazolidine-3-thione is sourced from PubChem (CID 15647629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).