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

C10H12F3N7 — CID 80857109

IUPAC2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N(C)C)nc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C10H12F3N7/c1-14-7-15-8(19(2)3)17-9(16-7)20-5-4-6(18-20)10(11,12)13/h4-5H,1-3H3,(H,14,15,16,17)
InChIKeyXBSSQFQQCGOMIH-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.18
Rot. Bonds3

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

2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 80857109) has the molecular formula C10H12F3N7 and a molecular weight of 287.25 g/mol. Its IUPAC name is 2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine
PubChem CID80857109
Molecular FormulaC10H12F3N7
Molecular Weight287.25 g/mol
Exact Mass287.11
IUPAC Name2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N(C)C)nc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C10H12F3N7/c1-14-7-15-8(19(2)3)17-9(16-7)20-5-4-6(18-20)10(11,12)13/h4-5H,1-3H3,(H,14,15,16,17)
InChIKeyXBSSQFQQCGOMIH-UHFFFAOYSA-N
XLogP1.18
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine (CID 80857109) is 2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine is CNc1nc(N(C)C)nc(-n2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of 2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is XBSSQFQQCGOMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N7/c1-14-7-15-8(19(2)3)17-9(16-7)20-5-4-6(18-20)10(11,12)13/h4-5H,1-3H3,(H,14,15,16,17).
What are the key properties of 2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine?
2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 287.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80857109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).