2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine

C14H19N5O2 — CID 107958242

IUPAC2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine
SMILESCCOc1ccc(-n2nc(N3CCOCC3)nc2N)cc1
InChIInChI=1S/C14H19N5O2/c1-2-21-12-5-3-11(4-6-12)19-13(15)16-14(17-19)18-7-9-20-10-8-18/h3-6H,2,7-10H2,1H3,(H2,15,16,17)
InChIKeyUUYVBHALGVAMPJ-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.08
Rot. Bonds4

About 2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine

2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine (PubChem CID 107958242) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine
PubChem CID107958242
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine
SMILESCCOc1ccc(-n2nc(N3CCOCC3)nc2N)cc1
InChIInChI=1S/C14H19N5O2/c1-2-21-12-5-3-11(4-6-12)19-13(15)16-14(17-19)18-7-9-20-10-8-18/h3-6H,2,7-10H2,1H3,(H2,15,16,17)
InChIKeyUUYVBHALGVAMPJ-UHFFFAOYSA-N
XLogP1.08
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-methoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine
CID 114797795
1-(4-ethoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazole-3,5-diamine
CID 107958246
2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580366
4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145
4-N-(4-ethoxyphenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine
CID 19137693
2-(4-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 55152004
1,3-bis(4-ethoxyphenyl)-5-(2-morpholin-4-ylethyl)-1,3,5-triazinane-2-thione
CID 4890543
2-[5-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]phenol
CID 135549362
1-(4-ethoxyphenyl)-5-hydroxy-4-methyl-3-(4-morpholin-4-ylphenyl)imidazole-2-thione
CID 91040818
2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 28784276
4-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 116807402
(4-ethoxyphenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 70703575

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine?
The IUPAC name of 2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine (CID 107958242) is 2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine is CCOc1ccc(-n2nc(N3CCOCC3)nc2N)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine?
The InChIKey is UUYVBHALGVAMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-2-21-12-5-3-11(4-6-12)19-13(15)16-14(17-19)18-7-9-20-10-8-18/h3-6H,2,7-10H2,1H3,(H2,15,16,17).
What are the key properties of 2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine?
2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine has a molecular weight of 289.34 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 107958242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).