N-[2-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine

C15H18FN5O — CID 112944060

IUPACN-[2-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine
SMILESFc1ccc(CCNc2nncc(N3CCOCC3)n2)cc1
InChIInChI=1S/C15H18FN5O/c16-13-3-1-12(2-4-13)5-6-17-15-19-14(11-18-20-15)21-7-9-22-10-8-21/h1-4,11H,5-10H2,(H,17,19,20)
InChIKeyAGZWEGYMPOBKKL-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.50
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine

N-[2-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine (PubChem CID 112944060) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine
PubChem CID112944060
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine
SMILESFc1ccc(CCNc2nncc(N3CCOCC3)n2)cc1
InChIInChI=1S/C15H18FN5O/c16-13-3-1-12(2-4-13)5-6-17-15-19-14(11-18-20-15)21-7-9-22-10-8-21/h1-4,11H,5-10H2,(H,17,19,20)
InChIKeyAGZWEGYMPOBKKL-UHFFFAOYSA-N
XLogP1.50
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[2-(4-fluorophenyl)ethylamino]-1,2,4-triazin-5-yl]piperazine-1-carbaldehyde
CID 112946504
[4-[3-[2-(4-fluorophenyl)ethylamino]-1,2,4-triazin-5-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112953780
N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941063
5-morpholin-4-yl-N-pentyl-1,2,4-triazin-3-amine
CID 112944097
5-(azepan-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine
CID 112952983
N-[2-(cyclohexen-1-yl)ethyl]-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112943154
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine
CID 112953804
5-(4-ethylpiperazin-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine
CID 112946149
N-[2-(4-methoxyphenoxy)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine
CID 112944091
N-[(4-fluorophenyl)methyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112950060
N-(2-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112952966
4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine
CID 112886384

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine (CID 112944060) is N-[2-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine is Fc1ccc(CCNc2nncc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine?
The InChIKey is AGZWEGYMPOBKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O/c16-13-3-1-12(2-4-13)5-6-17-15-19-14(11-18-20-15)21-7-9-22-10-8-21/h1-4,11H,5-10H2,(H,17,19,20).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine?
N-[2-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine has a molecular weight of 303.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 112944060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).