2-N,2-N-dimethyl-6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine

C10H13F3N8S — CID 17406835

IUPAC2-N,2-N-dimethyl-6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSc2nnc(C(F)(F)F)n2C)n1
InChIInChI=1S/C10H13F3N8S/c1-20(2)8-16-5(15-7(14)17-8)4-22-9-19-18-6(21(9)3)10(11,12)13/h4H2,1-3H3,(H2,14,15,16,17)
InChIKeyRYFOGSUNKWTKNF-UHFFFAOYSA-N
MW334.33 g/mol
LogP0.96
Rot. Bonds4

About 2-N,2-N-dimethyl-6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 17406835) has the molecular formula C10H13F3N8S and a molecular weight of 334.33 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
PubChem CID17406835
Molecular FormulaC10H13F3N8S
Molecular Weight334.33 g/mol
Exact Mass334.09
IUPAC Name2-N,2-N-dimethyl-6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSc2nnc(C(F)(F)F)n2C)n1
InChIInChI=1S/C10H13F3N8S/c1-20(2)8-16-5(15-7(14)17-8)4-22-9-19-18-6(21(9)3)10(11,12)13/h4H2,1-3H3,(H2,14,15,16,17)
InChIKeyRYFOGSUNKWTKNF-UHFFFAOYSA-N
XLogP0.96
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-N,2-N-dimethyl-6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N,N-dimethyl-6-{[(1-methyl-1H-tetrazol-5-yl)thio]methyl}-1,3,5-triazine-2,4-diamine
CID 1263556
6-[[4-Methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 8294099
2-N,2-N-dimethyl-6-[1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine
CID 16310491
6-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 25462477
2-N,2-N-dimethyl-6-[(1S)-1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine
CID 40895149
2-N,2-N-dimethyl-6-[(1R)-1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine
CID 40895150
6-[1-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 46658247
[4-Methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63315096
[5-(2,2-Difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 63315357
N-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2,2,2-trifluoroethanamine
CID 63515321
2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3,3,3-trifluoropropan-1-amine
CID 63537939
3,4-Dimethyl-5-(2,2,2-trifluoroethylsulfanyl)-1,2,4-triazole
CID 130677711

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine (CID 17406835) is 2-N,2-N-dimethyl-6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(CSc2nnc(C(F)(F)F)n2C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is RYFOGSUNKWTKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N8S/c1-20(2)8-16-5(15-7(14)17-8)4-22-9-19-18-6(21(9)3)10(11,12)13/h4H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-N,2-N-dimethyl-6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 334.33 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17406835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).