5,6-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-3-amine

C7H9F3N4 — CID 114786536

IUPAC5,6-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-3-amine
SMILESCc1nnc(NCC(F)(F)F)nc1C
InChIInChI=1S/C7H9F3N4/c1-4-5(2)13-14-6(12-4)11-3-7(8,9)10/h3H2,1-2H3,(H,11,12,14)
InChIKeyXSKRFYDDFQEIDN-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.46
Rot. Bonds2

About 5,6-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-3-amine

5,6-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-3-amine (PubChem CID 114786536) has the molecular formula C7H9F3N4 and a molecular weight of 206.17 g/mol. Its IUPAC name is 5,6-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-3-amine
PubChem CID114786536
Molecular FormulaC7H9F3N4
Molecular Weight206.17 g/mol
Exact Mass206.08
IUPAC Name5,6-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-3-amine
SMILESCc1nnc(NCC(F)(F)F)nc1C
InChIInChI=1S/C7H9F3N4/c1-4-5(2)13-14-6(12-4)11-3-7(8,9)10/h3H2,1-2H3,(H,11,12,14)
InChIKeyXSKRFYDDFQEIDN-UHFFFAOYSA-N
XLogP1.46
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-3-amine (CID 114786536) is 5,6-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-3-amine is Cc1nnc(NCC(F)(F)F)nc1C.
What is the InChIKey of 5,6-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-3-amine?
The InChIKey is XSKRFYDDFQEIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4/c1-4-5(2)13-14-6(12-4)11-3-7(8,9)10/h3H2,1-2H3,(H,11,12,14).
What are the key properties of 5,6-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-3-amine?
5,6-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-3-amine has a molecular weight of 206.17 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 114786536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).