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

C10H14F3N9S — CID 46658247

IUPAC6-[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
SMILESCC(Sc1nnc(C(F)(F)F)n1N)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C10H14F3N9S/c1-4(5-16-7(14)18-8(17-5)21(2)3)23-9-20-19-6(22(9)15)10(11,12)13/h4H,15H2,1-3H3,(H2,14,16,17,18)
InChIKeyOUBAKRZAAJVDGO-UHFFFAOYSA-N
MW349.35 g/mol
LogP0.70
Rot. Bonds4

About 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

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 (PubChem CID 46658247) has the molecular formula C10H14F3N9S and a molecular weight of 349.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID46658247
Molecular FormulaC10H14F3N9S
Molecular Weight349.35 g/mol
Exact Mass349.10
IUPAC Name6-[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
SMILESCC(Sc1nnc(C(F)(F)F)n1N)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C10H14F3N9S/c1-4(5-16-7(14)18-8(17-5)21(2)3)23-9-20-19-6(22(9)15)10(11,12)13/h4H,15H2,1-3H3,(H2,14,16,17,18)
InChIKeyOUBAKRZAAJVDGO-UHFFFAOYSA-N
XLogP0.70
TPSA124.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 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
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
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
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
6-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 29617441
2-N,2-N-dimethyl-6-[(1S)-1-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine
CID 35500428

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(Sc1nnc(C(F)(F)F)n1N)c1nc(N)nc(N(C)C)n1.
What is the InChIKey of 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?
The InChIKey is OUBAKRZAAJVDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N9S/c1-4(5-16-7(14)18-8(17-5)21(2)3)23-9-20-19-6(22(9)15)10(11,12)13/h4H,15H2,1-3H3,(H2,14,16,17,18).
What are the key properties of 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?
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 has a molecular weight of 349.35 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 46658247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).