2-N,4-N-dimethyl-4-N-(thiolan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

C11H16N8S — CID 80783628

IUPAC2-N,4-N-dimethyl-4-N-(thiolan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N(C)C2CCSC2)nc(-n2cncn2)n1
InChIInChI=1S/C11H16N8S/c1-12-9-15-10(18(2)8-3-4-20-5-8)17-11(16-9)19-7-13-6-14-19/h6-8H,3-5H2,1-2H3,(H,12,15,16,17)
InChIKeyZZAYIHVZNAEOIM-UHFFFAOYSA-N
MW292.37 g/mol
LogP0.44
Rot. Bonds4

About 2-N,4-N-dimethyl-4-N-(thiolan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

2-N,4-N-dimethyl-4-N-(thiolan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80783628) has the molecular formula C11H16N8S and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-4-N-(thiolan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-4-N-(thiolan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80783628
Molecular FormulaC11H16N8S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC Name2-N,4-N-dimethyl-4-N-(thiolan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N(C)C2CCSC2)nc(-n2cncn2)n1
InChIInChI=1S/C11H16N8S/c1-12-9-15-10(18(2)8-3-4-20-5-8)17-11(16-9)19-7-13-6-14-19/h6-8H,3-5H2,1-2H3,(H,12,15,16,17)
InChIKeyZZAYIHVZNAEOIM-UHFFFAOYSA-N
XLogP0.44
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-N,4-N-dimethyl-4-N-(thiolan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

3-[[methyl-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
CID 80832039
4-N-(2,2-dimethylpropyl)-2-N,4-N-dimethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80818894
2-N-ethyl-4-N-methyl-4-N-(oxolan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 82751417
2-methyl-3-[methyl-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanenitrile
CID 80809894
4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80751432
4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80831390
4-N-methyl-2-N-(2-methylcyclopentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80829419
4-N-(1-methoxypropan-2-yl)-2-N,4-N-dimethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80809298
4-(2,6-dimethylmorpholin-4-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80749453
2-N,4-N-dimethyl-4-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 81064836
4-(3-cyclopropylpyrazol-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80840951
N-methyl-4-(2-methylcyclohexyl)oxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80844946

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-4-N-(thiolan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-4-N-(thiolan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 80783628) is 2-N,4-N-dimethyl-4-N-(thiolan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-4-N-(thiolan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-4-N-(thiolan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is CNc1nc(N(C)C2CCSC2)nc(-n2cncn2)n1.
What is the InChIKey of 2-N,4-N-dimethyl-4-N-(thiolan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZZAYIHVZNAEOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N8S/c1-12-9-15-10(18(2)8-3-4-20-5-8)17-11(16-9)19-7-13-6-14-19/h6-8H,3-5H2,1-2H3,(H,12,15,16,17).
What are the key properties of 2-N,4-N-dimethyl-4-N-(thiolan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
2-N,4-N-dimethyl-4-N-(thiolan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 292.37 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-4-N-(thiolan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80783628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).