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

C17H22FN5O — CID 25368700

IUPAC5-(3-fluorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine
SMILESCC(C)(CNc1nncc(-c2cccc(F)c2)n1)N1CCOCC1
InChIInChI=1S/C17H22FN5O/c1-17(2,23-6-8-24-9-7-23)12-19-16-21-15(11-20-22-16)13-4-3-5-14(18)10-13/h3-5,10-11H,6-9,12H2,1-2H3,(H,19,21,22)
InChIKeyIMCZPGGJJXDIPT-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.20
Rot. Bonds5

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

5-(3-fluorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine (PubChem CID 25368700) has the molecular formula C17H22FN5O and a molecular weight of 331.39 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine
PubChem CID25368700
Molecular FormulaC17H22FN5O
Molecular Weight331.39 g/mol
Exact Mass331.18
IUPAC Name5-(3-fluorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine
SMILESCC(C)(CNc1nncc(-c2cccc(F)c2)n1)N1CCOCC1
InChIInChI=1S/C17H22FN5O/c1-17(2,23-6-8-24-9-7-23)12-19-16-21-15(11-20-22-16)13-4-3-5-14(18)10-13/h3-5,10-11H,6-9,12H2,1-2H3,(H,19,21,22)
InChIKeyIMCZPGGJJXDIPT-UHFFFAOYSA-N
XLogP2.20
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine
CID 29029101
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
5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 72935483
1-[(3-fluorophenyl)methyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111314748
1-[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]azepane
CID 25373449
1-[2-(3-fluorophenyl)ethyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315935
3-(3-chlorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine
CID 133282298
2-[1-[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]ethanol
CID 42209757
3-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 125443212
1-ethyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111314174
5-(1-benzofuran-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]-1,2,4-triazin-3-amine
CID 42520239

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(3-fluorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine (CID 25368700) is 5-(3-fluorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(3-fluorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine is CC(C)(CNc1nncc(-c2cccc(F)c2)n1)N1CCOCC1.
What is the InChIKey of 5-(3-fluorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine?
The InChIKey is IMCZPGGJJXDIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O/c1-17(2,23-6-8-24-9-7-23)12-19-16-21-15(11-20-22-16)13-4-3-5-14(18)10-13/h3-5,10-11H,6-9,12H2,1-2H3,(H,19,21,22).
What are the key properties of 5-(3-fluorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine?
5-(3-fluorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine has a molecular weight of 331.39 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 25368700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).