2-(4-fluorophenyl)-6-methylbenzotriazol-5-amine

C13H11FN4 — CID 822280

IUPAC2-(4-fluorophenyl)-6-methylbenzotriazol-5-amine
SMILESCc1cc2nn(-c3ccc(F)cc3)nc2cc1N
InChIInChI=1S/C13H11FN4/c1-8-6-12-13(7-11(8)15)17-18(16-12)10-4-2-9(14)3-5-10/h2-7H,15H2,1H3
InChIKeyIGNZBKSODFTDHY-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.45
Rot. Bonds1

About 2-(4-fluorophenyl)-6-methylbenzotriazol-5-amine

2-(4-fluorophenyl)-6-methylbenzotriazol-5-amine (PubChem CID 822280) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-methylbenzotriazol-5-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-methylbenzotriazol-5-amine
PubChem CID822280
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name2-(4-fluorophenyl)-6-methylbenzotriazol-5-amine
SMILESCc1cc2nn(-c3ccc(F)cc3)nc2cc1N
InChIInChI=1S/C13H11FN4/c1-8-6-12-13(7-11(8)15)17-18(16-12)10-4-2-9(14)3-5-10/h2-7H,15H2,1H3
InChIKeyIGNZBKSODFTDHY-UHFFFAOYSA-N
XLogP2.45
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.45
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

2-(4-Fluorophenyl)-2H-benzotriazol-5-amine
CID 721127
6-methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-amine
CID 736271
N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide
CID 738198
2-(3,4-Dimethyl-phenyl)-2H-benzotriazol-5-ylamine
CID 835193
2-(4-chlorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-amine
CID 921808
2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-amine
CID 960733
Mls003106484
CID 292642
2-Phenyl-2H-benzotriazol-5-ylamine
CID 721090
2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-amine
CID 783935
2-(2,4-Dimethylphenyl)-5-benzotriazolamine
CID 802111
N-[6-methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]propanamide
CID 4580516
5-Amino-2-(p-tolyl)-2h-benzotriazole
CID 721095

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-methylbenzotriazol-5-amine?
The IUPAC name of 2-(4-fluorophenyl)-6-methylbenzotriazol-5-amine (CID 822280) is 2-(4-fluorophenyl)-6-methylbenzotriazol-5-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-6-methylbenzotriazol-5-amine?
The canonical SMILES for 2-(4-fluorophenyl)-6-methylbenzotriazol-5-amine is Cc1cc2nn(-c3ccc(F)cc3)nc2cc1N.
What is the InChIKey of 2-(4-fluorophenyl)-6-methylbenzotriazol-5-amine?
The InChIKey is IGNZBKSODFTDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c1-8-6-12-13(7-11(8)15)17-18(16-12)10-4-2-9(14)3-5-10/h2-7H,15H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-6-methylbenzotriazol-5-amine?
2-(4-fluorophenyl)-6-methylbenzotriazol-5-amine has a molecular weight of 242.26 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-methylbenzotriazol-5-amine is sourced from PubChem (CID 822280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).