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

C16H21N5O3 — CID 112944091

IUPACN-[2-(4-methoxyphenoxy)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine
SMILESCOc1ccc(OCCNc2nncc(N3CCOCC3)n2)cc1
InChIInChI=1S/C16H21N5O3/c1-22-13-2-4-14(5-3-13)24-9-6-17-16-19-15(12-18-20-16)21-7-10-23-11-8-21/h2-5,12H,6-11H2,1H3,(H,17,19,20)
InChIKeyZPFRNOMOFHALEU-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.21
Rot. Bonds7

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

N-[2-(4-methoxyphenoxy)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine (PubChem CID 112944091) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine
PubChem CID112944091
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine
SMILESCOc1ccc(OCCNc2nncc(N3CCOCC3)n2)cc1
InChIInChI=1S/C16H21N5O3/c1-22-13-2-4-14(5-3-13)24-9-6-17-16-19-15(12-18-20-16)21-7-10-23-11-8-21/h2-5,12H,6-11H2,1H3,(H,17,19,20)
InChIKeyZPFRNOMOFHALEU-UHFFFAOYSA-N
XLogP1.21
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
CID 112912114
5-morpholin-4-yl-N-pentyl-1,2,4-triazin-3-amine
CID 112944097
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869875
N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 112944964
3-N-[2-(4-methoxyphenoxy)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938365
N-(2-methoxyethyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941809
N-[2-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine
CID 112944060
N-[2-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 112886390
N-[2-(4-methoxyphenoxy)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 112886594
N-(3-methoxypropyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112943886
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912289
5-N-(4-ethoxyphenyl)-3-N-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazine-3,5-diamine
CID 112958780

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine (CID 112944091) is N-[2-(4-methoxyphenoxy)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine is COc1ccc(OCCNc2nncc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine?
The InChIKey is ZPFRNOMOFHALEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-22-13-2-4-14(5-3-13)24-9-6-17-16-19-15(12-18-20-16)21-7-10-23-11-8-21/h2-5,12H,6-11H2,1H3,(H,17,19,20).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine?
N-[2-(4-methoxyphenoxy)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine has a molecular weight of 331.38 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 112944091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).