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

C17H23FN4 — CID 82196871

IUPAC[5-(2-cyclohexylethyl)-1-(4-fluorophenyl)triazol-4-yl]methanamine
SMILESNCc1nnn(-c2ccc(F)cc2)c1CCC1CCCCC1
InChIInChI=1S/C17H23FN4/c18-14-7-9-15(10-8-14)22-17(16(12-19)20-21-22)11-6-13-4-2-1-3-5-13/h7-10,13H,1-6,11-12,19H2
InChIKeyASAXNZYMRAAWDF-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.38
Rot. Bonds5

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

[5-(2-cyclohexylethyl)-1-(4-fluorophenyl)triazol-4-yl]methanamine (PubChem CID 82196871) has the molecular formula C17H23FN4 and a molecular weight of 302.40 g/mol. Its IUPAC name is [5-(2-cyclohexylethyl)-1-(4-fluorophenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-cyclohexylethyl)-1-(4-fluorophenyl)triazol-4-yl]methanamine
PubChem CID82196871
Molecular FormulaC17H23FN4
Molecular Weight302.40 g/mol
Exact Mass302.19
IUPAC Name[5-(2-cyclohexylethyl)-1-(4-fluorophenyl)triazol-4-yl]methanamine
SMILESNCc1nnn(-c2ccc(F)cc2)c1CCC1CCCCC1
InChIInChI=1S/C17H23FN4/c18-14-7-9-15(10-8-14)22-17(16(12-19)20-21-22)11-6-13-4-2-1-3-5-13/h7-10,13H,1-6,11-12,19H2
InChIKeyASAXNZYMRAAWDF-UHFFFAOYSA-N
XLogP3.38
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-cyclohexylethyl)-1-(4-fluorophenyl)triazol-4-yl]methanamine?
The IUPAC name of [5-(2-cyclohexylethyl)-1-(4-fluorophenyl)triazol-4-yl]methanamine (CID 82196871) is [5-(2-cyclohexylethyl)-1-(4-fluorophenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-cyclohexylethyl)-1-(4-fluorophenyl)triazol-4-yl]methanamine?
The canonical SMILES for [5-(2-cyclohexylethyl)-1-(4-fluorophenyl)triazol-4-yl]methanamine is NCc1nnn(-c2ccc(F)cc2)c1CCC1CCCCC1.
What is the InChIKey of [5-(2-cyclohexylethyl)-1-(4-fluorophenyl)triazol-4-yl]methanamine?
The InChIKey is ASAXNZYMRAAWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4/c18-14-7-9-15(10-8-14)22-17(16(12-19)20-21-22)11-6-13-4-2-1-3-5-13/h7-10,13H,1-6,11-12,19H2.
What are the key properties of [5-(2-cyclohexylethyl)-1-(4-fluorophenyl)triazol-4-yl]methanamine?
[5-(2-cyclohexylethyl)-1-(4-fluorophenyl)triazol-4-yl]methanamine has a molecular weight of 302.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-cyclohexylethyl)-1-(4-fluorophenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82196871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).