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

C11H15F3N8S — CID 40895150

IUPAC2-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
SMILESC[C@@H](Sc1nnc(C(F)(F)F)n1C)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C11H15F3N8S/c1-5(6-16-8(15)18-9(17-6)21(2)3)23-10-20-19-7(22(10)4)11(12,13)14/h5H,1-4H3,(H2,15,16,17,18)/t5-/m1/s1
InChIKeyGUUREWDKVHFZBK-RXMQYKEDSA-N
MW348.36 g/mol
LogP1.52
Rot. Bonds4

About 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

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 (PubChem CID 40895150) has the molecular formula C11H15F3N8S and a molecular weight of 348.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID40895150
Molecular FormulaC11H15F3N8S
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name2-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
SMILESC[C@@H](Sc1nnc(C(F)(F)F)n1C)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C11H15F3N8S/c1-5(6-16-8(15)18-9(17-6)21(2)3)23-10-20-19-7(22(10)4)11(12,13)14/h5H,1-4H3,(H2,15,16,17,18)/t5-/m1/s1
InChIKeyGUUREWDKVHFZBK-RXMQYKEDSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
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
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
3-Ethyl-4-methyl-5-(1,1,1-trifluoropropan-2-ylsulfanyl)-1,2,4-triazole
CID 84588983
3-ethyl-4-methyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,2,4-triazole
CID 97236027
3-ethyl-4-methyl-5-[(2R)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,2,4-triazole
CID 97236028
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
6-[(4,5-Dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 8216889
6-[(5-Cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 8216926

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H](Sc1nnc(C(F)(F)F)n1C)c1nc(N)nc(N(C)C)n1.
What is the InChIKey of 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?
The InChIKey is GUUREWDKVHFZBK-RXMQYKEDSA-N. The full InChI is InChI=1S/C11H15F3N8S/c1-5(6-16-8(15)18-9(17-6)21(2)3)23-10-20-19-7(22(10)4)11(12,13)14/h5H,1-4H3,(H2,15,16,17,18)/t5-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 348.36 g/mol, XLogP of 1.52, 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-[(1R)-1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 40895150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).