2-N,2-N,4-trimethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-1,3,5-triazine-2,6-diamine

C10H14F3N7 — CID 126608359

IUPAC2-N,2-N,4-trimethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-1,3,5-triazine-2,6-diamine
SMILESCN(C)C1=NC(C)(n2ccc(C(F)(F)F)n2)N=C(N)N1
InChIInChI=1S/C10H14F3N7/c1-9(16-7(14)15-8(17-9)19(2)3)20-5-4-6(18-20)10(11,12)13/h4-5H,1-3H3,(H3,14,15,16,17)
InChIKeyUFKQXOGLUGKMHL-UHFFFAOYSA-N
MW289.27 g/mol
LogP0.37
Rot. Bonds1

About 2-N,2-N,4-trimethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-1,3,5-triazine-2,6-diamine

2-N,2-N,4-trimethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-1,3,5-triazine-2,6-diamine (PubChem CID 126608359) has the molecular formula C10H14F3N7 and a molecular weight of 289.27 g/mol. Its IUPAC name is 2-N,2-N,4-trimethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-1,3,5-triazine-2,6-diamine.

Molecular Properties

Compound Name2-N,2-N,4-trimethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-1,3,5-triazine-2,6-diamine
PubChem CID126608359
Molecular FormulaC10H14F3N7
Molecular Weight289.27 g/mol
Exact Mass289.13
IUPAC Name2-N,2-N,4-trimethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-1,3,5-triazine-2,6-diamine
SMILESCN(C)C1=NC(C)(n2ccc(C(F)(F)F)n2)N=C(N)N1
InChIInChI=1S/C10H14F3N7/c1-9(16-7(14)15-8(17-9)19(2)3)20-5-4-6(18-20)10(11,12)13/h4-5H,1-3H3,(H3,14,15,16,17)
InChIKeyUFKQXOGLUGKMHL-UHFFFAOYSA-N
XLogP0.37
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-trimethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-1,3,5-triazine-2,6-diamine?
The IUPAC name of 2-N,2-N,4-trimethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-1,3,5-triazine-2,6-diamine (CID 126608359) is 2-N,2-N,4-trimethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-1,3,5-triazine-2,6-diamine.
What is the SMILES notation for 2-N,2-N,4-trimethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-1,3,5-triazine-2,6-diamine?
The canonical SMILES for 2-N,2-N,4-trimethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-1,3,5-triazine-2,6-diamine is CN(C)C1=NC(C)(n2ccc(C(F)(F)F)n2)N=C(N)N1.
What is the InChIKey of 2-N,2-N,4-trimethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-1,3,5-triazine-2,6-diamine?
The InChIKey is UFKQXOGLUGKMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N7/c1-9(16-7(14)15-8(17-9)19(2)3)20-5-4-6(18-20)10(11,12)13/h4-5H,1-3H3,(H3,14,15,16,17).
What are the key properties of 2-N,2-N,4-trimethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-1,3,5-triazine-2,6-diamine?
2-N,2-N,4-trimethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-1,3,5-triazine-2,6-diamine has a molecular weight of 289.27 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-trimethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 126608359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).