[5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine

C15H13FN4 — CID 82200276

IUPAC[5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine
SMILESNCc1nnn(-c2ccccc2)c1-c1ccccc1F
InChIInChI=1S/C15H13FN4/c16-13-9-5-4-8-12(13)15-14(10-17)18-19-20(15)11-6-2-1-3-7-11/h1-9H,10,17H2
InChIKeyOOSHHFVHMYNLCR-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.53
Rot. Bonds3

About [5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine

[5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine (PubChem CID 82200276) has the molecular formula C15H13FN4 and a molecular weight of 268.30 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine
PubChem CID82200276
Molecular FormulaC15H13FN4
Molecular Weight268.30 g/mol
Exact Mass268.11
IUPAC Name[5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine
SMILESNCc1nnn(-c2ccccc2)c1-c1ccccc1F
InChIInChI=1S/C15H13FN4/c16-13-9-5-4-8-12(13)15-14(10-17)18-19-20(15)11-6-2-1-3-7-11/h1-9H,10,17H2
InChIKeyOOSHHFVHMYNLCR-UHFFFAOYSA-N
XLogP2.53
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine 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

[1,5-bis(2-fluorophenyl)triazol-4-yl]methanamine
CID 82196565
[5-(2-fluorophenyl)-1-(3-nitrophenyl)triazol-4-yl]methanamine
CID 94939829
[5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine
CID 82221388
[1-butyl-5-(2-fluorophenyl)triazol-4-yl]methanamine
CID 82205505
[1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazol-4-yl]methanamine
CID 94940134
[1-(4-ethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine
CID 82198461
[5-(2-fluorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanamine
CID 82210868
[5-(2-fluorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanamine
CID 82208417
4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)triazol-4-yl]methyl]morpholine
CID 11384438
[5-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203281
4-[4-(aminomethyl)-5-(2-methylphenyl)triazol-1-yl]-N,N-dimethylaniline
CID 94939636
(5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride
CID 154878745

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine?
The IUPAC name of [5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine (CID 82200276) is [5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine?
The canonical SMILES for [5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine is NCc1nnn(-c2ccccc2)c1-c1ccccc1F.
What is the InChIKey of [5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine?
The InChIKey is OOSHHFVHMYNLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4/c16-13-9-5-4-8-12(13)15-14(10-17)18-19-20(15)11-6-2-1-3-7-11/h1-9H,10,17H2.
What are the key properties of [5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine?
[5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine has a molecular weight of 268.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine is sourced from PubChem (CID 82200276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).