(1R)-1-[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-1,2,4-triazol-3-yl]ethanamine

C11H15F3N6O — CID 58499881

IUPAC(1R)-1-[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-1,2,4-triazol-3-yl]ethanamine
SMILESCCn1c(Oc2cc(C(F)(F)F)n(C)n2)nnc1[C@@H](C)N
InChIInChI=1S/C11H15F3N6O/c1-4-20-9(6(2)15)16-17-10(20)21-8-5-7(11(12,13)14)19(3)18-8/h5-6H,4,15H2,1-3H3/t6-/m1/s1
InChIKeyXSNVSSFKDVWPGJ-ZCFIWIBFSA-N
MW304.28 g/mol
LogP1.86
Rot. Bonds4

About (1R)-1-[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-1,2,4-triazol-3-yl]ethanamine

(1R)-1-[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-1,2,4-triazol-3-yl]ethanamine (PubChem CID 58499881) has the molecular formula C11H15F3N6O and a molecular weight of 304.28 g/mol. Its IUPAC name is (1R)-1-[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-1,2,4-triazol-3-yl]ethanamine
PubChem CID58499881
Molecular FormulaC11H15F3N6O
Molecular Weight304.28 g/mol
Exact Mass304.13
IUPAC Name(1R)-1-[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-1,2,4-triazol-3-yl]ethanamine
SMILESCCn1c(Oc2cc(C(F)(F)F)n(C)n2)nnc1[C@@H](C)N
InChIInChI=1S/C11H15F3N6O/c1-4-20-9(6(2)15)16-17-10(20)21-8-5-7(11(12,13)14)19(3)18-8/h5-6H,4,15H2,1-3H3/t6-/m1/s1
InChIKeyXSNVSSFKDVWPGJ-ZCFIWIBFSA-N
XLogP1.86
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of (1R)-1-[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-1,2,4-triazol-3-yl]ethanamine (CID 58499881) is (1R)-1-[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for (1R)-1-[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for (1R)-1-[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-1,2,4-triazol-3-yl]ethanamine is CCn1c(Oc2cc(C(F)(F)F)n(C)n2)nnc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is XSNVSSFKDVWPGJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H15F3N6O/c1-4-20-9(6(2)15)16-17-10(20)21-8-5-7(11(12,13)14)19(3)18-8/h5-6H,4,15H2,1-3H3/t6-/m1/s1.
What are the key properties of (1R)-1-[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-1,2,4-triazol-3-yl]ethanamine?
(1R)-1-[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 304.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 58499881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).