5,6-dimethyl-N-(thiolan-3-yl)-1,2,4-triazin-3-amine

C9H14N4S — CID 104924497

IUPAC5,6-dimethyl-N-(thiolan-3-yl)-1,2,4-triazin-3-amine
SMILESCc1nnc(NC2CCSC2)nc1C
InChIInChI=1S/C9H14N4S/c1-6-7(2)12-13-9(10-6)11-8-3-4-14-5-8/h8H,3-5H2,1-2H3,(H,10,11,13)
InChIKeyKGFLGTMRZCUPSD-UHFFFAOYSA-N
MW210.31 g/mol
LogP1.41
Rot. Bonds2

About 5,6-dimethyl-N-(thiolan-3-yl)-1,2,4-triazin-3-amine

5,6-dimethyl-N-(thiolan-3-yl)-1,2,4-triazin-3-amine (PubChem CID 104924497) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is 5,6-dimethyl-N-(thiolan-3-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(thiolan-3-yl)-1,2,4-triazin-3-amine
PubChem CID104924497
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Name5,6-dimethyl-N-(thiolan-3-yl)-1,2,4-triazin-3-amine
SMILESCc1nnc(NC2CCSC2)nc1C
InChIInChI=1S/C9H14N4S/c1-6-7(2)12-13-9(10-6)11-8-3-4-14-5-8/h8H,3-5H2,1-2H3,(H,10,11,13)
InChIKeyKGFLGTMRZCUPSD-UHFFFAOYSA-N
XLogP1.41
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,6-dimethyl-N-(thiolan-3-yl)-1,2,4-triazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(thiolan-3-yl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-dimethyl-N-(thiolan-3-yl)-1,2,4-triazin-3-amine (CID 104924497) is 5,6-dimethyl-N-(thiolan-3-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-dimethyl-N-(thiolan-3-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-dimethyl-N-(thiolan-3-yl)-1,2,4-triazin-3-amine is Cc1nnc(NC2CCSC2)nc1C.
What is the InChIKey of 5,6-dimethyl-N-(thiolan-3-yl)-1,2,4-triazin-3-amine?
The InChIKey is KGFLGTMRZCUPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c1-6-7(2)12-13-9(10-6)11-8-3-4-14-5-8/h8H,3-5H2,1-2H3,(H,10,11,13).
What are the key properties of 5,6-dimethyl-N-(thiolan-3-yl)-1,2,4-triazin-3-amine?
5,6-dimethyl-N-(thiolan-3-yl)-1,2,4-triazin-3-amine has a molecular weight of 210.31 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(thiolan-3-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 104924497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).