[5-cyclohexyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanamine

C16H21FN4 — CID 82211827

IUPAC[5-cyclohexyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanamine
SMILESNCc1nnn(Cc2cccc(F)c2)c1C1CCCCC1
InChIInChI=1S/C16H21FN4/c17-14-8-4-5-12(9-14)11-21-16(15(10-18)19-20-21)13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-11,18H2
InChIKeyARDOKXASYDWWKR-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.97
Rot. Bonds4

About [5-cyclohexyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanamine

[5-cyclohexyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanamine (PubChem CID 82211827) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is [5-cyclohexyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-cyclohexyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanamine
PubChem CID82211827
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name[5-cyclohexyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanamine
SMILESNCc1nnn(Cc2cccc(F)c2)c1C1CCCCC1
InChIInChI=1S/C16H21FN4/c17-14-8-4-5-12(9-14)11-21-16(15(10-18)19-20-21)13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-11,18H2
InChIKeyARDOKXASYDWWKR-UHFFFAOYSA-N
XLogP2.97
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-cyclopropyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanol
CID 82211758
5-cyclopropyl-1-[(3-fluorophenyl)methyl]triazole-4-carbonitrile
CID 82211759
[5-cyclobutyl-1-[(2,6-dichlorophenyl)methyl]triazol-4-yl]methanamine
CID 94943290
[1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanamine
CID 82211840
3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]propan-1-amine
CID 82211859
[1-[(3-fluorophenyl)methyl]-5-(3-methoxyphenyl)triazol-4-yl]methanamine
CID 94946400
1-[(3-fluorophenyl)methyl]tetrazol-5-amine
CID 79506981
1-benzyl-5-cyclohexyltriazole-4-carbonitrile
CID 82203030
5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carbonitrile
CID 54300581
5-chloro-4-cyclohexyloxy-1-[(3-fluorophenyl)methyl]pyrazole
CID 117232551
5-[1-(1-cyclohexylethenyl)piperidin-4-yl]-3-[(3-fluorophenyl)methyl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 143498254
(5-cyclopropyl-1-ethyltriazol-4-yl)methanamine
CID 82207448

Frequently Asked Questions

What is the IUPAC name of [5-cyclohexyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanamine?
The IUPAC name of [5-cyclohexyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanamine (CID 82211827) is [5-cyclohexyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [5-cyclohexyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [5-cyclohexyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanamine is NCc1nnn(Cc2cccc(F)c2)c1C1CCCCC1.
What is the InChIKey of [5-cyclohexyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanamine?
The InChIKey is ARDOKXASYDWWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c17-14-8-4-5-12(9-14)11-21-16(15(10-18)19-20-21)13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-11,18H2.
What are the key properties of [5-cyclohexyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanamine?
[5-cyclohexyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanamine has a molecular weight of 288.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclohexyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 82211827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).