4-fluoro-N-methyl-2-(1,2,4-triazol-1-yl)aniline;hydrochloride

C9H10ClFN4 — CID 162335623

IUPAC4-fluoro-N-methyl-2-(1,2,4-triazol-1-yl)aniline;hydrochloride
SMILESCNc1ccc(F)cc1-n1cncn1.Cl
InChIInChI=1S/C9H9FN4.ClH/c1-11-8-3-2-7(10)4-9(8)14-6-12-5-13-14;/h2-6,11H,1H3;1H
InChIKeyKCHICZDYVQNHGI-UHFFFAOYSA-N
MW228.66 g/mol
LogP1.87
Rot. Bonds2

About 4-fluoro-N-methyl-2-(1,2,4-triazol-1-yl)aniline;hydrochloride

4-fluoro-N-methyl-2-(1,2,4-triazol-1-yl)aniline;hydrochloride (PubChem CID 162335623) has the molecular formula C9H10ClFN4 and a molecular weight of 228.66 g/mol. Its IUPAC name is 4-fluoro-N-methyl-2-(1,2,4-triazol-1-yl)aniline;hydrochloride.

Molecular Properties

Compound Name4-fluoro-N-methyl-2-(1,2,4-triazol-1-yl)aniline;hydrochloride
PubChem CID162335623
Molecular FormulaC9H10ClFN4
Molecular Weight228.66 g/mol
Exact Mass228.06
IUPAC Name4-fluoro-N-methyl-2-(1,2,4-triazol-1-yl)aniline;hydrochloride
SMILESCNc1ccc(F)cc1-n1cncn1.Cl
InChIInChI=1S/C9H9FN4.ClH/c1-11-8-3-2-7(10)4-9(8)14-6-12-5-13-14;/h2-6,11H,1H3;1H
InChIKeyKCHICZDYVQNHGI-UHFFFAOYSA-N
XLogP1.87
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.66
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-methyl-2-(1,2,4-triazol-1-yl)aniline;hydrochloride 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-N-methyl-2-(1,2,4-triazol-1-yl)aniline;hydrochloride?
The IUPAC name of 4-fluoro-N-methyl-2-(1,2,4-triazol-1-yl)aniline;hydrochloride (CID 162335623) is 4-fluoro-N-methyl-2-(1,2,4-triazol-1-yl)aniline;hydrochloride.
What is the SMILES notation for 4-fluoro-N-methyl-2-(1,2,4-triazol-1-yl)aniline;hydrochloride?
The canonical SMILES for 4-fluoro-N-methyl-2-(1,2,4-triazol-1-yl)aniline;hydrochloride is CNc1ccc(F)cc1-n1cncn1.Cl.
What is the InChIKey of 4-fluoro-N-methyl-2-(1,2,4-triazol-1-yl)aniline;hydrochloride?
The InChIKey is KCHICZDYVQNHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4.ClH/c1-11-8-3-2-7(10)4-9(8)14-6-12-5-13-14;/h2-6,11H,1H3;1H.
What are the key properties of 4-fluoro-N-methyl-2-(1,2,4-triazol-1-yl)aniline;hydrochloride?
4-fluoro-N-methyl-2-(1,2,4-triazol-1-yl)aniline;hydrochloride has a molecular weight of 228.66 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-2-(1,2,4-triazol-1-yl)aniline;hydrochloride is sourced from PubChem (CID 162335623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).