4-fluoro-2-methoxy-3-(2-methyltriazol-4-yl)aniline

C10H11FN4O — CID 166055544

IUPAC4-fluoro-2-methoxy-3-(2-methyltriazol-4-yl)aniline
SMILESCOc1c(N)ccc(F)c1-c1cnn(C)n1
InChIInChI=1S/C10H11FN4O/c1-15-13-5-8(14-15)9-6(11)3-4-7(12)10(9)16-2/h3-5H,12H2,1-2H3
InChIKeyJKYDBMNRKUYACZ-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.21
Rot. Bonds2

About 4-fluoro-2-methoxy-3-(2-methyltriazol-4-yl)aniline

4-fluoro-2-methoxy-3-(2-methyltriazol-4-yl)aniline (PubChem CID 166055544) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-3-(2-methyltriazol-4-yl)aniline.

Molecular Properties

Compound Name4-fluoro-2-methoxy-3-(2-methyltriazol-4-yl)aniline
PubChem CID166055544
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name4-fluoro-2-methoxy-3-(2-methyltriazol-4-yl)aniline
SMILESCOc1c(N)ccc(F)c1-c1cnn(C)n1
InChIInChI=1S/C10H11FN4O/c1-15-13-5-8(14-15)9-6(11)3-4-7(12)10(9)16-2/h3-5H,12H2,1-2H3
InChIKeyJKYDBMNRKUYACZ-UHFFFAOYSA-N
XLogP1.21
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-2-methoxy-3-(2-methyltriazol-4-yl)aniline
CID 166510237
2-methyl-6-(2-methyltriazol-4-yl)pyridin-3-amine
CID 126985521
4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117342062
4-(2-methyltriazol-4-yl)aniline
CID 21395791
2-chloro-4-(2-methyltriazol-4-yl)aniline
CID 130602565
3-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117499176
3-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117427225
3,4-difluoro-2-(1-methylpyrazol-4-yl)oxyaniline
CID 116792425
4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350188
methyl 3-amino-5-bromo-4-methoxybenzoate;methyl 3-amino-4-methoxy-5-(2-methyltriazol-4-yl)benzoate
CID 167591522
3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117358433
3,4-difluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]aniline
CID 106596732

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-3-(2-methyltriazol-4-yl)aniline?
The IUPAC name of 4-fluoro-2-methoxy-3-(2-methyltriazol-4-yl)aniline (CID 166055544) is 4-fluoro-2-methoxy-3-(2-methyltriazol-4-yl)aniline.
What is the SMILES notation for 4-fluoro-2-methoxy-3-(2-methyltriazol-4-yl)aniline?
The canonical SMILES for 4-fluoro-2-methoxy-3-(2-methyltriazol-4-yl)aniline is COc1c(N)ccc(F)c1-c1cnn(C)n1.
What is the InChIKey of 4-fluoro-2-methoxy-3-(2-methyltriazol-4-yl)aniline?
The InChIKey is JKYDBMNRKUYACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c1-15-13-5-8(14-15)9-6(11)3-4-7(12)10(9)16-2/h3-5H,12H2,1-2H3.
What are the key properties of 4-fluoro-2-methoxy-3-(2-methyltriazol-4-yl)aniline?
4-fluoro-2-methoxy-3-(2-methyltriazol-4-yl)aniline has a molecular weight of 222.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-3-(2-methyltriazol-4-yl)aniline is sourced from PubChem (CID 166055544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).