[5-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine

C17H17FN4 — CID 82203281

IUPAC[5-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
SMILESCc1ccc(Cn2nnc(CN)c2-c2ccccc2F)cc1
InChIInChI=1S/C17H17FN4/c1-12-6-8-13(9-7-12)11-22-17(16(10-19)20-21-22)14-4-2-3-5-15(14)18/h2-9H,10-11,19H2,1H3
InChIKeyXHNWTZBQVUTZSI-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.90
Rot. Bonds4

About [5-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine

[5-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine (PubChem CID 82203281) has the molecular formula C17H17FN4 and a molecular weight of 296.35 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
PubChem CID82203281
Molecular FormulaC17H17FN4
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC Name[5-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
SMILESCc1ccc(Cn2nnc(CN)c2-c2ccccc2F)cc1
InChIInChI=1S/C17H17FN4/c1-12-6-8-13(9-7-12)11-22-17(16(10-19)20-21-22)14-4-2-3-5-15(14)18/h2-9H,10-11,19H2,1H3
InChIKeyXHNWTZBQVUTZSI-UHFFFAOYSA-N
XLogP2.90
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 94943191
[5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203283
[5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203279
[1-butyl-5-(2-fluorophenyl)triazol-4-yl]methanamine
CID 82205505
[5-(2-fluorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanamine
CID 82208417
[5-(2-fluorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanamine
CID 82210868
[1-benzyl-5-(2-chlorophenyl)triazol-4-yl]methanamine
CID 82203156
[5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine
CID 82200276
[1,5-bis(2-fluorophenyl)triazol-4-yl]methanamine
CID 82196565
[1-[(3-chlorophenyl)methyl]-5-(2-fluorophenyl)triazol-4-yl]methanol
CID 94943384
[5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203271
[5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine
CID 82221388

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine?
The IUPAC name of [5-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine (CID 82203281) is [5-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [5-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine is Cc1ccc(Cn2nnc(CN)c2-c2ccccc2F)cc1.
What is the InChIKey of [5-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine?
The InChIKey is XHNWTZBQVUTZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4/c1-12-6-8-13(9-7-12)11-22-17(16(10-19)20-21-22)14-4-2-3-5-15(14)18/h2-9H,10-11,19H2,1H3.
What are the key properties of [5-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine?
[5-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine has a molecular weight of 296.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 82203281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).