N-ethyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

C10H11F3N6O — CID 80859007

IUPACN-ethyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC(F)(F)F)nc(-n2cccn2)n1
InChIInChI=1S/C10H11F3N6O/c1-2-14-7-16-8(19-5-3-4-15-19)18-9(17-7)20-6-10(11,12)13/h3-5H,2,6H2,1H3,(H,14,16,17,18)
InChIKeyLMCVZULNRGFFLB-UHFFFAOYSA-N
MW288.23 g/mol
LogP1.43
Rot. Bonds5

About N-ethyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

N-ethyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 80859007) has the molecular formula C10H11F3N6O and a molecular weight of 288.23 g/mol. Its IUPAC name is N-ethyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID80859007
Molecular FormulaC10H11F3N6O
Molecular Weight288.23 g/mol
Exact Mass288.09
IUPAC NameN-ethyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC(F)(F)F)nc(-n2cccn2)n1
InChIInChI=1S/C10H11F3N6O/c1-2-14-7-16-8(19-5-3-4-15-19)18-9(17-7)20-6-10(11,12)13/h3-5H,2,6H2,1H3,(H,14,16,17,18)
InChIKeyLMCVZULNRGFFLB-UHFFFAOYSA-N
XLogP1.43
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 80859007) is N-ethyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is CCNc1nc(OCC(F)(F)F)nc(-n2cccn2)n1.
What is the InChIKey of N-ethyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is LMCVZULNRGFFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6O/c1-2-14-7-16-8(19-5-3-4-15-19)18-9(17-7)20-6-10(11,12)13/h3-5H,2,6H2,1H3,(H,14,16,17,18).
What are the key properties of N-ethyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
N-ethyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 288.23 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80859007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).