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

C10H16N4S — CID 107296743

IUPAC5,6-dimethyl-N-(thiolan-3-ylmethyl)-1,2,4-triazin-3-amine
SMILESCc1nnc(NCC2CCSC2)nc1C
InChIInChI=1S/C10H16N4S/c1-7-8(2)13-14-10(12-7)11-5-9-3-4-15-6-9/h9H,3-6H2,1-2H3,(H,11,12,14)
InChIKeyQCSUMIZDYIMRNA-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.65
Rot. Bonds3

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

5,6-dimethyl-N-(thiolan-3-ylmethyl)-1,2,4-triazin-3-amine (PubChem CID 107296743) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 5,6-dimethyl-N-(thiolan-3-ylmethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(thiolan-3-ylmethyl)-1,2,4-triazin-3-amine
PubChem CID107296743
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name5,6-dimethyl-N-(thiolan-3-ylmethyl)-1,2,4-triazin-3-amine
SMILESCc1nnc(NCC2CCSC2)nc1C
InChIInChI=1S/C10H16N4S/c1-7-8(2)13-14-10(12-7)11-5-9-3-4-15-6-9/h9H,3-6H2,1-2H3,(H,11,12,14)
InChIKeyQCSUMIZDYIMRNA-UHFFFAOYSA-N
XLogP1.65
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-N-(thian-4-ylmethyl)-1,2,4-triazin-3-amine
CID 114448553
6-chloro-4-N-methyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 107298829
2-hydrazinyl-6-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
CID 107298910
2,5-dimethyl-6-N-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine
CID 107298770
5,6-dimethyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-3-amine
CID 114448388
1-methyl-N-(thiolan-3-ylmethyl)tetrazol-5-amine
CID 107296847
5-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]pyrrolidin-2-one
CID 114448549
1-cyclopropyl-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine
CID 114787209
2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine
CID 107294936
2-chloro-5-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
CID 107297738
methyl 2-methyl-6-(thiolan-3-ylmethylamino)pyridine-3-carboxylate
CID 107296781
4-N-ethyl-6-pyrrolidin-1-yl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 107298766

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(thiolan-3-ylmethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-dimethyl-N-(thiolan-3-ylmethyl)-1,2,4-triazin-3-amine (CID 107296743) is 5,6-dimethyl-N-(thiolan-3-ylmethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-dimethyl-N-(thiolan-3-ylmethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-dimethyl-N-(thiolan-3-ylmethyl)-1,2,4-triazin-3-amine is Cc1nnc(NCC2CCSC2)nc1C.
What is the InChIKey of 5,6-dimethyl-N-(thiolan-3-ylmethyl)-1,2,4-triazin-3-amine?
The InChIKey is QCSUMIZDYIMRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-7-8(2)13-14-10(12-7)11-5-9-3-4-15-6-9/h9H,3-6H2,1-2H3,(H,11,12,14).
What are the key properties of 5,6-dimethyl-N-(thiolan-3-ylmethyl)-1,2,4-triazin-3-amine?
5,6-dimethyl-N-(thiolan-3-ylmethyl)-1,2,4-triazin-3-amine has a molecular weight of 224.33 g/mol, XLogP of 1.65, 3 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-ylmethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 107296743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).