2-fluoro-5-(4-propyl-1,2,4-triazol-3-yl)aniline

C11H13FN4 — CID 62694499

IUPAC2-fluoro-5-(4-propyl-1,2,4-triazol-3-yl)aniline
SMILESCCCn1cnnc1-c1ccc(F)c(N)c1
InChIInChI=1S/C11H13FN4/c1-2-5-16-7-14-15-11(16)8-3-4-9(12)10(13)6-8/h3-4,6-7H,2,5,13H2,1H3
InChIKeyBMCJBJHAXDIRGZ-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.08
Rot. Bonds3

About 2-fluoro-5-(4-propyl-1,2,4-triazol-3-yl)aniline

2-fluoro-5-(4-propyl-1,2,4-triazol-3-yl)aniline (PubChem CID 62694499) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-fluoro-5-(4-propyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound Name2-fluoro-5-(4-propyl-1,2,4-triazol-3-yl)aniline
PubChem CID62694499
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name2-fluoro-5-(4-propyl-1,2,4-triazol-3-yl)aniline
SMILESCCCn1cnnc1-c1ccc(F)c(N)c1
InChIInChI=1S/C11H13FN4/c1-2-5-16-7-14-15-11(16)8-3-4-9(12)10(13)6-8/h3-4,6-7H,2,5,13H2,1H3
InChIKeyBMCJBJHAXDIRGZ-UHFFFAOYSA-N
XLogP2.08
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazole
CID 115395074
4-propyl-3-(3,4,5-trifluorophenyl)-1,2,4-triazole
CID 113301320
3-(3-chloro-4-methylphenyl)-4-propyl-1,2,4-triazole
CID 115395050
3-(2,5-difluorophenyl)-4-propyl-1,2,4-triazole
CID 115395120
3-(4-bromo-3-chlorophenyl)-4-propyl-1,2,4-triazole
CID 115395002
3-(3-bromo-4-fluorophenyl)-4-ethyl-1,2,4-triazole
CID 107954691
4-methyl-2-(4-propyl-1,2,4-triazol-3-yl)aniline
CID 62694681
4-(4-ethyl-1,2,4-triazol-3-yl)-2-methylaniline
CID 62693006
3-(3-chloro-5-methylphenyl)-4-propyl-1,2,4-triazole
CID 115395140
3-(4-ethoxyphenyl)-4-propyl-1,2,4-triazole
CID 113301287
3-(2,3,4,5,6-pentafluorophenyl)-4-propyl-1,2,4-triazole
CID 115395009
2-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 63188193

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(4-propyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of 2-fluoro-5-(4-propyl-1,2,4-triazol-3-yl)aniline (CID 62694499) is 2-fluoro-5-(4-propyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for 2-fluoro-5-(4-propyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for 2-fluoro-5-(4-propyl-1,2,4-triazol-3-yl)aniline is CCCn1cnnc1-c1ccc(F)c(N)c1.
What is the InChIKey of 2-fluoro-5-(4-propyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is BMCJBJHAXDIRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-2-5-16-7-14-15-11(16)8-3-4-9(12)10(13)6-8/h3-4,6-7H,2,5,13H2,1H3.
What are the key properties of 2-fluoro-5-(4-propyl-1,2,4-triazol-3-yl)aniline?
2-fluoro-5-(4-propyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 220.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(4-propyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 62694499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).