5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine

C11H12F3N5O — CID 167842566

IUPAC5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine
SMILESCc1ccc(OCc2nc(NCC(F)(F)F)n[nH]2)cn1
InChIInChI=1S/C11H12F3N5O/c1-7-2-3-8(4-15-7)20-5-9-17-10(19-18-9)16-6-11(12,13)14/h2-4H,5-6H2,1H3,(H2,16,17,18,19)
InChIKeyRNONUMIQIURPQO-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.06
Rot. Bonds5

About 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine

5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine (PubChem CID 167842566) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine
PubChem CID167842566
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine
SMILESCc1ccc(OCc2nc(NCC(F)(F)F)n[nH]2)cn1
InChIInChI=1S/C11H12F3N5O/c1-7-2-3-8(4-15-7)20-5-9-17-10(19-18-9)16-6-11(12,13)14/h2-4H,5-6H2,1H3,(H2,16,17,18,19)
InChIKeyRNONUMIQIURPQO-UHFFFAOYSA-N
XLogP2.06
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine (CID 167842566) is 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine is Cc1ccc(OCc2nc(NCC(F)(F)F)n[nH]2)cn1.
What is the InChIKey of 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is RNONUMIQIURPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-7-2-3-8(4-15-7)20-5-9-17-10(19-18-9)16-6-11(12,13)14/h2-4H,5-6H2,1H3,(H2,16,17,18,19).
What are the key properties of 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine?
5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 287.25 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 167842566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).