5-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine

C16H20FN5O — CID 29029101

IUPAC5-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine
SMILESFc1cccc(-c2cnnc(NCCCN3CCOCC3)n2)c1
InChIInChI=1S/C16H20FN5O/c17-14-4-1-3-13(11-14)15-12-19-21-16(20-15)18-5-2-6-22-7-9-23-10-8-22/h1,3-4,11-12H,2,5-10H2,(H,18,20,21)
InChIKeyFNFZMVUHCGLKNN-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.81
Rot. Bonds6

About 5-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine

5-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine (PubChem CID 29029101) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine
PubChem CID29029101
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC Name5-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine
SMILESFc1cccc(-c2cnnc(NCCCN3CCOCC3)n2)c1
InChIInChI=1S/C16H20FN5O/c17-14-4-1-3-13(11-14)15-12-19-21-16(20-15)18-5-2-6-22-7-9-23-10-8-22/h1,3-4,11-12H,2,5-10H2,(H,18,20,21)
InChIKeyFNFZMVUHCGLKNN-UHFFFAOYSA-N
XLogP1.81
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.81
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

5-(3-fluorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine
CID 25368700
5-(3-fluorophenyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine
CID 31015572
5-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)-1,2,4-triazin-3-amine
CID 42454381
N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152143
5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 92567545
2-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56678801
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 50842206
4-[3-[3-(3-fluorophenyl)quinolin-6-yl]propyl]morpholine
CID 19063713
N-(3-morpholin-4-ylpropyl)-5-phenylpyridin-2-amine
CID 141285664
4-(3-fluorophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668934
6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 117080618
3-(3-fluorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-4H-1,2-oxazole-5-carboxamide
CID 91946116

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine (CID 29029101) is 5-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine is Fc1cccc(-c2cnnc(NCCCN3CCOCC3)n2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine?
The InChIKey is FNFZMVUHCGLKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c17-14-4-1-3-13(11-14)15-12-19-21-16(20-15)18-5-2-6-22-7-9-23-10-8-22/h1,3-4,11-12H,2,5-10H2,(H,18,20,21).
What are the key properties of 5-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine?
5-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine has a molecular weight of 317.37 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 29029101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).