5-(2-fluoro-5-methylphenyl)-1H-1,2,4-triazol-3-amine

C9H9FN4 — CID 62516530

IUPAC5-(2-fluoro-5-methylphenyl)-1H-1,2,4-triazol-3-amine
SMILESCc1ccc(F)c(-c2nc(N)n[nH]2)c1
InChIInChI=1S/C9H9FN4/c1-5-2-3-7(10)6(4-5)8-12-9(11)14-13-8/h2-4H,1H3,(H3,11,12,13,14)
InChIKeyHDIZHYFSVRAUAL-UHFFFAOYSA-N
MW192.20 g/mol
LogP1.50
Rot. Bonds1

About 5-(2-fluoro-5-methylphenyl)-1H-1,2,4-triazol-3-amine

5-(2-fluoro-5-methylphenyl)-1H-1,2,4-triazol-3-amine (PubChem CID 62516530) has the molecular formula C9H9FN4 and a molecular weight of 192.20 g/mol. Its IUPAC name is 5-(2-fluoro-5-methylphenyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2-fluoro-5-methylphenyl)-1H-1,2,4-triazol-3-amine
PubChem CID62516530
Molecular FormulaC9H9FN4
Molecular Weight192.20 g/mol
Exact Mass192.08
IUPAC Name5-(2-fluoro-5-methylphenyl)-1H-1,2,4-triazol-3-amine
SMILESCc1ccc(F)c(-c2nc(N)n[nH]2)c1
InChIInChI=1S/C9H9FN4/c1-5-2-3-7(10)6(4-5)8-12-9(11)14-13-8/h2-4H,1H3,(H3,11,12,13,14)
InChIKeyHDIZHYFSVRAUAL-UHFFFAOYSA-N
XLogP1.50
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2-fluoro-5-methylphenyl)-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

Related Compounds

Triamiphos
CID 13943
5-Phenyl-4H-1,2,4-triazol-3-amine
CID 95778
1H-1,2,4-Triazole, 5-phenyl-
CID 18786
3,5-Diphenyl-1H-1,2,4-triazole
CID 16260
N-(3-phenyl-1H-1,2,4-triazol-5-yl)urea
CID 222304
3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine
CID 691412
5-phenyl-3-prop-2-enylsulfanyl-1H-1,2,4-triazole
CID 2133314
3,5-Diphenyl-4H-1,2,4-triazol-4-amine
CID 229821
Mls003115328
CID 318161
5-(4-fluorophenyl)-4H-1,2,4-triazol-3-amine
CID 652295
5-(2-bromophenyl)-4H-1,2,4-triazol-3-amine
CID 2859280
5-(2-chlorophenyl)-4H-1,2,4-triazol-3-amine
CID 5064432

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-5-methylphenyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2-fluoro-5-methylphenyl)-1H-1,2,4-triazol-3-amine (CID 62516530) is 5-(2-fluoro-5-methylphenyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2-fluoro-5-methylphenyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2-fluoro-5-methylphenyl)-1H-1,2,4-triazol-3-amine is Cc1ccc(F)c(-c2nc(N)n[nH]2)c1.
What is the InChIKey of 5-(2-fluoro-5-methylphenyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is HDIZHYFSVRAUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4/c1-5-2-3-7(10)6(4-5)8-12-9(11)14-13-8/h2-4H,1H3,(H3,11,12,13,14).
What are the key properties of 5-(2-fluoro-5-methylphenyl)-1H-1,2,4-triazol-3-amine?
5-(2-fluoro-5-methylphenyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 192.20 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-5-methylphenyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 62516530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).