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

C10H9F3N6O — CID 106597292

IUPAC2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1Oc1ncn(C)n1
InChIInChI=1S/C10H9F3N6O/c1-19-4-16-9(18-19)20-8-5(7(14)15)2-3-6(17-8)10(11,12)13/h2-4H,1H3,(H3,14,15)
InChIKeyNYAKMBVSCYQWHC-UHFFFAOYSA-N
MW286.22 g/mol
LogP1.31
Rot. Bonds3

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

2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 106597292) has the molecular formula C10H9F3N6O and a molecular weight of 286.22 g/mol. Its IUPAC name is 2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID106597292
Molecular FormulaC10H9F3N6O
Molecular Weight286.22 g/mol
Exact Mass286.08
IUPAC Name2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1Oc1ncn(C)n1
InChIInChI=1S/C10H9F3N6O/c1-19-4-16-9(18-19)20-8-5(7(14)15)2-3-6(17-8)10(11,12)13/h2-4H,1H3,(H3,14,15)
InChIKeyNYAKMBVSCYQWHC-UHFFFAOYSA-N
XLogP1.31
TPSA102.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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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)pyridine-3-carboximidamide?
The IUPAC name of 2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 106597292) is 2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C(F)(F)F)nc1Oc1ncn(C)n1.
What is the InChIKey of 2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is NYAKMBVSCYQWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N6O/c1-19-4-16-9(18-19)20-8-5(7(14)15)2-3-6(17-8)10(11,12)13/h2-4H,1H3,(H3,14,15).
What are the key properties of 2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboximidamide?
2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 286.22 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 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)pyridine-3-carboximidamide is sourced from PubChem (CID 106597292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).