1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)triazol-4-amine

C16H22FN5O — CID 76684566

IUPAC1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)triazol-4-amine
SMILESFc1ccc(Cn2cc(NCCCN3CCOCC3)nn2)cc1
InChIInChI=1S/C16H22FN5O/c17-15-4-2-14(3-5-15)12-22-13-16(19-20-22)18-6-1-7-21-8-10-23-11-9-21/h2-5,13,18H,1,6-12H2
InChIKeyVMJSYVJYINFCAE-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.60
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)triazol-4-amine

1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)triazol-4-amine (PubChem CID 76684566) has the molecular formula C16H22FN5O and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)triazol-4-amine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)triazol-4-amine
PubChem CID76684566
Molecular FormulaC16H22FN5O
Molecular Weight319.38 g/mol
Exact Mass319.18
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)triazol-4-amine
SMILESFc1ccc(Cn2cc(NCCCN3CCOCC3)nn2)cc1
InChIInChI=1S/C16H22FN5O/c17-15-4-2-14(3-5-15)12-22-13-16(19-20-22)18-6-1-7-21-8-10-23-11-9-21/h2-5,13,18H,1,6-12H2
InChIKeyVMJSYVJYINFCAE-UHFFFAOYSA-N
XLogP1.60
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683678
1-(3,4-dichlorobenzyl)-N-(2-morpholinoethyl)-1H-1,2,3-triazol-4-amine
CID 76683777
1-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 76683785
N-[2-(azepan-1-yl)ethyl]-1-benzyltriazol-4-amine
CID 76683883
1-[(4-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683885
1-[(3-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683976
N-(1-benzyltriazol-4-yl)-N',N'-diethylethane-1,2-diamine
CID 76683978
1-[(3,4-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 76684096
1-[(3,4-difluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684100
1-[(3,4-difluorophenyl)methyl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine
CID 76684202
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine
CID 76684208
1-[(3,4-dichlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)triazol-4-amine
CID 76684564

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)triazol-4-amine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)triazol-4-amine (CID 76684566) is 1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)triazol-4-amine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)triazol-4-amine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)triazol-4-amine is Fc1ccc(Cn2cc(NCCCN3CCOCC3)nn2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)triazol-4-amine?
The InChIKey is VMJSYVJYINFCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5O/c17-15-4-2-14(3-5-15)12-22-13-16(19-20-22)18-6-1-7-21-8-10-23-11-9-21/h2-5,13,18H,1,6-12H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)triazol-4-amine?
1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)triazol-4-amine has a molecular weight of 319.38 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)triazol-4-amine is sourced from PubChem (CID 76684566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).