5-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine

C20H23N5O — CID 17129698

IUPAC5-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine
SMILESCCc1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)n[nH]2)cc1
InChIInChI=1S/C20H23N5O/c1-2-15-3-5-16(6-4-15)19-22-20(24-23-19)21-17-7-9-18(10-8-17)25-11-13-26-14-12-25/h3-10H,2,11-14H2,1H3,(H2,21,22,23,24)
InChIKeyWQEPZJVSUAPTOT-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.61
Rot. Bonds5

About 5-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine

5-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine (PubChem CID 17129698) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine
PubChem CID17129698
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name5-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine
SMILESCCc1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)n[nH]2)cc1
InChIInChI=1S/C20H23N5O/c1-2-15-3-5-16(6-4-15)19-22-20(24-23-19)21-17-7-9-18(10-8-17)25-11-13-26-14-12-25/h3-10H,2,11-14H2,1H3,(H2,21,22,23,24)
InChIKeyWQEPZJVSUAPTOT-UHFFFAOYSA-N
XLogP3.61
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(3-bromo-4-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine
CID 17129729
N-(4-morpholin-4-ylphenyl)-5-(3-propoxyphenyl)-1H-1,2,4-triazol-3-amine
CID 17129734
4-(4-ethylphenyl)morpholine
CID 20576442
2-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-b]pyridin-6-amine
CID 148987412
2-N-(4-chlorophenyl)-4-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 7192046
4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 145490173
4-[5-(4-butylphenyl)-1H-1,2,4-triazol-3-yl]morpholine
CID 157016401
2-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide
CID 154271986
2-(4-ethylphenyl)-4-methyl-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide
CID 7594221
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778
4-N-(4-ethylphenyl)-2-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580284
2-N-(4-ethylphenyl)-6-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112928742

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine (CID 17129698) is 5-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine is CCc1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)n[nH]2)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is WQEPZJVSUAPTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-2-15-3-5-16(6-4-15)19-22-20(24-23-19)21-17-7-9-18(10-8-17)25-11-13-26-14-12-25/h3-10H,2,11-14H2,1H3,(H2,21,22,23,24).
What are the key properties of 5-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine?
5-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 349.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 17129698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).