6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine

C11H13F3N6 — CID 106773557

IUPAC6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCc1nc(CC)n(-c2cc(N)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H13F3N6/c1-3-7-17-8(4-2)20(19-7)9-5-6(15)16-10(18-9)11(12,13)14/h5H,3-4H2,1-2H3,(H2,15,16,18)
InChIKeyGWYRQYDVQOFTIL-UHFFFAOYSA-N
MW286.26 g/mol
LogP1.78
Rot. Bonds3

About 6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine

6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106773557) has the molecular formula C11H13F3N6 and a molecular weight of 286.26 g/mol. Its IUPAC name is 6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106773557
Molecular FormulaC11H13F3N6
Molecular Weight286.26 g/mol
Exact Mass286.12
IUPAC Name6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCc1nc(CC)n(-c2cc(N)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H13F3N6/c1-3-7-17-8(4-2)20(19-7)9-5-6(15)16-10(18-9)11(12,13)14/h5H,3-4H2,1-2H3,(H2,15,16,18)
InChIKeyGWYRQYDVQOFTIL-UHFFFAOYSA-N
XLogP1.78
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106773557) is 6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine is CCc1nc(CC)n(-c2cc(N)nc(C(F)(F)F)n2)n1.
What is the InChIKey of 6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is GWYRQYDVQOFTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6/c1-3-7-17-8(4-2)20(19-7)9-5-6(15)16-10(18-9)11(12,13)14/h5H,3-4H2,1-2H3,(H2,15,16,18).
What are the key properties of 6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 286.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106773557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).