[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine

C10H10F3N5O — CID 106596392

IUPAC[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCn1cnc(Oc2nc(C(F)(F)F)ccc2CN)n1
InChIInChI=1S/C10H10F3N5O/c1-18-5-15-9(17-18)19-8-6(4-14)2-3-7(16-8)10(11,12)13/h2-3,5H,4,14H2,1H3
InChIKeyCQJXYXOIGDERKU-UHFFFAOYSA-N
MW273.22 g/mol
LogP1.48
Rot. Bonds3

About [2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine

[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 106596392) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is [2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID106596392
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCn1cnc(Oc2nc(C(F)(F)F)ccc2CN)n1
InChIInChI=1S/C10H10F3N5O/c1-18-5-15-9(17-18)19-8-6(4-14)2-3-7(16-8)10(11,12)13/h2-3,5H,4,14H2,1H3
InChIKeyCQJXYXOIGDERKU-UHFFFAOYSA-N
XLogP1.48
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 106596392) is [2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine is Cn1cnc(Oc2nc(C(F)(F)F)ccc2CN)n1.
What is the InChIKey of [2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is CQJXYXOIGDERKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c1-18-5-15-9(17-18)19-8-6(4-14)2-3-7(16-8)10(11,12)13/h2-3,5H,4,14H2,1H3.
What are the key properties of [2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine?
[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 273.22 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 106596392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).