2-(3-fluorophenyl)benzotriazol-5-amine

C12H9FN4 — CID 163367308

IUPAC2-(3-fluorophenyl)benzotriazol-5-amine
SMILESNc1ccc2nn(-c3cccc(F)c3)nc2c1
InChIInChI=1S/C12H9FN4/c13-8-2-1-3-10(6-8)17-15-11-5-4-9(14)7-12(11)16-17/h1-7H,14H2
InChIKeyIVJQIFDQXUOKDA-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.14
Rot. Bonds1

About 2-(3-fluorophenyl)benzotriazol-5-amine

2-(3-fluorophenyl)benzotriazol-5-amine (PubChem CID 163367308) has the molecular formula C12H9FN4 and a molecular weight of 228.23 g/mol. Its IUPAC name is 2-(3-fluorophenyl)benzotriazol-5-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)benzotriazol-5-amine
PubChem CID163367308
Molecular FormulaC12H9FN4
Molecular Weight228.23 g/mol
Exact Mass228.08
IUPAC Name2-(3-fluorophenyl)benzotriazol-5-amine
SMILESNc1ccc2nn(-c3cccc(F)c3)nc2c1
InChIInChI=1S/C12H9FN4/c13-8-2-1-3-10(6-8)17-15-11-5-4-9(14)7-12(11)16-17/h1-7H,14H2
InChIKeyIVJQIFDQXUOKDA-UHFFFAOYSA-N
XLogP2.14
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.14
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

5-methyl-2-(3-methylphenyl)benzotriazole
CID 57226885
3-(3-fluorophenyl)imidazol-4-amine
CID 172993457
1-(3-fluorophenyl)-4-methylpyrazol-3-amine
CID 62677931
3-(aminomethyl)-1-(3-fluorophenyl)pyrazol-5-amine
CID 83864514
1-(3-fluorophenyl)-3-methylpyrazol-4-amine
CID 83222800
3-(5-amino-6-chlorobenzotriazol-2-yl)benzoic acid
CID 28690758
5-bromo-1-(3-fluorophenyl)pyrazol-4-amine
CID 115047672
1-[2-(3-fluorophenyl)triazol-4-yl]-N-methylmethanamine
CID 78987307
3,5-diamino-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 102826149
1-[3-(3-fluorophenyl)triazol-4-yl]ethanamine
CID 117167242
3-(3-fluorophenyl)-5-(4-fluorophenyl)triazol-4-amine
CID 82370255
3-(3-fluorophenyl)-5-phenyltriazol-4-amine
CID 82370249

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)benzotriazol-5-amine?
The IUPAC name of 2-(3-fluorophenyl)benzotriazol-5-amine (CID 163367308) is 2-(3-fluorophenyl)benzotriazol-5-amine.
What is the SMILES notation for 2-(3-fluorophenyl)benzotriazol-5-amine?
The canonical SMILES for 2-(3-fluorophenyl)benzotriazol-5-amine is Nc1ccc2nn(-c3cccc(F)c3)nc2c1.
What is the InChIKey of 2-(3-fluorophenyl)benzotriazol-5-amine?
The InChIKey is IVJQIFDQXUOKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4/c13-8-2-1-3-10(6-8)17-15-11-5-4-9(14)7-12(11)16-17/h1-7H,14H2.
What are the key properties of 2-(3-fluorophenyl)benzotriazol-5-amine?
2-(3-fluorophenyl)benzotriazol-5-amine has a molecular weight of 228.23 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)benzotriazol-5-amine is sourced from PubChem (CID 163367308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).