4-fluoro-2-methoxy-N-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)aniline

C11H13FN4O — CID 129260168

IUPAC4-fluoro-2-methoxy-N-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
SMILESCNc1c(OC)cc(F)cc1-c1n[nH]c(C)n1
InChIInChI=1S/C11H13FN4O/c1-6-14-11(16-15-6)8-4-7(12)5-9(17-3)10(8)13-2/h4-5,13H,1-3H3,(H,14,15,16)
InChIKeyWPIJQDHTTJIGAP-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.97
Rot. Bonds3

About 4-fluoro-2-methoxy-N-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)aniline

4-fluoro-2-methoxy-N-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)aniline (PubChem CID 129260168) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-N-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound Name4-fluoro-2-methoxy-N-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
PubChem CID129260168
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name4-fluoro-2-methoxy-N-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
SMILESCNc1c(OC)cc(F)cc1-c1n[nH]c(C)n1
InChIInChI=1S/C11H13FN4O/c1-6-14-11(16-15-6)8-4-7(12)5-9(17-3)10(8)13-2/h4-5,13H,1-3H3,(H,14,15,16)
InChIKeyWPIJQDHTTJIGAP-UHFFFAOYSA-N
XLogP1.97
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-2-methoxy-N-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)aniline 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 4-fluoro-2-methoxy-N-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)aniline?
The IUPAC name of 4-fluoro-2-methoxy-N-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)aniline (CID 129260168) is 4-fluoro-2-methoxy-N-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for 4-fluoro-2-methoxy-N-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for 4-fluoro-2-methoxy-N-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)aniline is CNc1c(OC)cc(F)cc1-c1n[nH]c(C)n1.
What is the InChIKey of 4-fluoro-2-methoxy-N-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)aniline?
The InChIKey is WPIJQDHTTJIGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-6-14-11(16-15-6)8-4-7(12)5-9(17-3)10(8)13-2/h4-5,13H,1-3H3,(H,14,15,16).
What are the key properties of 4-fluoro-2-methoxy-N-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)aniline?
4-fluoro-2-methoxy-N-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)aniline has a molecular weight of 236.25 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-N-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 129260168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).