4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine

C11H15F3N8S — CID 133420645

IUPAC4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(Sc2nnc(C(F)(F)F)n2N)nc(N(C)C)n1
InChIInChI=1S/C11H15F3N8S/c1-5(2)6-16-8(21(3)4)18-9(17-6)23-10-20-19-7(22(10)15)11(12,13)14/h5H,15H2,1-4H3
InChIKeyXQUMGQASZDLCRP-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.54
Rot. Bonds4

About 4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine

4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 133420645) has the molecular formula C11H15F3N8S and a molecular weight of 348.36 g/mol. Its IUPAC name is 4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID133420645
Molecular FormulaC11H15F3N8S
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(Sc2nnc(C(F)(F)F)n2N)nc(N(C)C)n1
InChIInChI=1S/C11H15F3N8S/c1-5(2)6-16-8(21(3)4)18-9(17-6)23-10-20-19-7(22(10)15)11(12,13)14/h5H,15H2,1-4H3
InChIKeyXQUMGQASZDLCRP-UHFFFAOYSA-N
XLogP1.54
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

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
6-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 25463535
4-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 133420648
4-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 133420656
4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 133433304
4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 133434211
6-[1-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 133883703

Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine (CID 133420645) is 4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine is CC(C)c1nc(Sc2nnc(C(F)(F)F)n2N)nc(N(C)C)n1.
What is the InChIKey of 4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is XQUMGQASZDLCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N8S/c1-5(2)6-16-8(21(3)4)18-9(17-6)23-10-20-19-7(22(10)15)11(12,13)14/h5H,15H2,1-4H3.
What are the key properties of 4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 348.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 133420645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).