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

C17H17FN4 — CID 82203283

IUPAC[5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
SMILESCc1ccc(Cn2nnc(CN)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN4/c1-12-2-4-13(5-3-12)11-22-17(16(10-19)20-21-22)14-6-8-15(18)9-7-14/h2-9H,10-11,19H2,1H3
InChIKeyWLRNQWODTARKJP-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.90
Rot. Bonds4

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

[5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine (PubChem CID 82203283) has the molecular formula C17H17FN4 and a molecular weight of 296.35 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
PubChem CID82203283
Molecular FormulaC17H17FN4
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC Name[5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
SMILESCc1ccc(Cn2nnc(CN)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN4/c1-12-2-4-13(5-3-12)11-22-17(16(10-19)20-21-22)14-6-8-15(18)9-7-14/h2-9H,10-11,19H2,1H3
InChIKeyWLRNQWODTARKJP-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-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203279
[5-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203281
[1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82207457
[5-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 94943191
[5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazol-4-yl]methanol
CID 94943324
[1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)triazol-4-yl]methanol
CID 94943302
[1-[(4-fluorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine
CID 82203571
[1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol
CID 82203213
(1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine
CID 82203160
[5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203271
[1-hexyl-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82206097
[1-cyclopropyl-5-(4-fluorophenyl)triazol-4-yl]methanamine
CID 105490807

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine?
The IUPAC name of [5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine (CID 82203283) is [5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine is Cc1ccc(Cn2nnc(CN)c2-c2ccc(F)cc2)cc1.
What is the InChIKey of [5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine?
The InChIKey is WLRNQWODTARKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4/c1-12-2-4-13(5-3-12)11-22-17(16(10-19)20-21-22)14-6-8-15(18)9-7-14/h2-9H,10-11,19H2,1H3.
What are the key properties of [5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine?
[5-(4-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-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 82203283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).