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

C18H19FN4 — CID 94938494

IUPAC[1-(4-ethylphenyl)-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanamine
SMILESCCc1ccc(-n2nnc(CN)c2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN4/c1-2-13-5-9-16(10-6-13)23-18(17(12-20)21-22-23)11-14-3-7-15(19)8-4-14/h3-10H,2,11-12,20H2,1H3
InChIKeyUEHPTNRKPRGVEK-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.02
Rot. Bonds5

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

[1-(4-ethylphenyl)-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanamine (PubChem CID 94938494) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is [1-(4-ethylphenyl)-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-ethylphenyl)-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanamine
PubChem CID94938494
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC Name[1-(4-ethylphenyl)-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanamine
SMILESCCc1ccc(-n2nnc(CN)c2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN4/c1-2-13-5-9-16(10-6-13)23-18(17(12-20)21-22-23)11-14-3-7-15(19)8-4-14/h3-10H,2,11-12,20H2,1H3
InChIKeyUEHPTNRKPRGVEK-UHFFFAOYSA-N
XLogP3.02
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-chlorophenyl)-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanamine
CID 94939947
4-[4-(aminomethyl)-5-benzyltriazol-1-yl]-N,N-dimethylaniline
CID 94939643
[5-cyclopropyl-1-(4-ethylphenyl)triazol-4-yl]methanamine
CID 82198454
[1-(4-ethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine
CID 82198461
[5-(2-cyclohexylethyl)-1-(4-fluorophenyl)triazol-4-yl]methanamine
CID 82196871
[1-(4-fluorophenyl)-5-propyltriazol-4-yl]methanol
CID 56686734
[1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine
CID 82200808
[5-ethyl-1-(4-phenoxyphenyl)triazol-4-yl]methanamine
CID 82198492
5-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)triazole-4-carbaldehyde
CID 94937033
[5-benzyl-1-(2-ethoxyphenyl)triazol-4-yl]methanamine
CID 94937910
[1-(4-ethylphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine
CID 82198469
5-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)triazole-4-carbonitrile
CID 94937449

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylphenyl)-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-(4-ethylphenyl)-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanamine (CID 94938494) is [1-(4-ethylphenyl)-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-(4-ethylphenyl)-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-(4-ethylphenyl)-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanamine is CCc1ccc(-n2nnc(CN)c2Cc2ccc(F)cc2)cc1.
What is the InChIKey of [1-(4-ethylphenyl)-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanamine?
The InChIKey is UEHPTNRKPRGVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4/c1-2-13-5-9-16(10-6-13)23-18(17(12-20)21-22-23)11-14-3-7-15(19)8-4-14/h3-10H,2,11-12,20H2,1H3.
What are the key properties of [1-(4-ethylphenyl)-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanamine?
[1-(4-ethylphenyl)-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanamine has a molecular weight of 310.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylphenyl)-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 94938494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).