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

C21H25N5O2 — CID 17129734

IUPACN-(4-morpholin-4-ylphenyl)-5-(3-propoxyphenyl)-1H-1,2,4-triazol-3-amine
SMILESCCCOc1cccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)n[nH]2)c1
InChIInChI=1S/C21H25N5O2/c1-2-12-28-19-5-3-4-16(15-19)20-23-21(25-24-20)22-17-6-8-18(9-7-17)26-10-13-27-14-11-26/h3-9,15H,2,10-14H2,1H3,(H2,22,23,24,25)
InChIKeySSVANLVHSXGNJK-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.84
Rot. Bonds7

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

N-(4-morpholin-4-ylphenyl)-5-(3-propoxyphenyl)-1H-1,2,4-triazol-3-amine (PubChem CID 17129734) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-5-(3-propoxyphenyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-5-(3-propoxyphenyl)-1H-1,2,4-triazol-3-amine
PubChem CID17129734
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-(4-morpholin-4-ylphenyl)-5-(3-propoxyphenyl)-1H-1,2,4-triazol-3-amine
SMILESCCCOc1cccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)n[nH]2)c1
InChIInChI=1S/C21H25N5O2/c1-2-12-28-19-5-3-4-16(15-19)20-23-21(25-24-20)22-17-6-8-18(9-7-17)26-10-13-27-14-11-26/h3-9,15H,2,10-14H2,1H3,(H2,22,23,24,25)
InChIKeySSVANLVHSXGNJK-UHFFFAOYSA-N
XLogP3.84
TPSA75.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
4-[5-(3-butoxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine
CID 162629868
5-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine
CID 17129698
5-(3-butoxyphenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine
CID 17128189
4-[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine
CID 157015654
N-tert-butyl-2-[3-[6-ethoxy-4-(4-morpholin-4-ylanilino)quinazolin-2-yl]phenoxy]acetamide
CID 150752796
7-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-2-amine
CID 24801484
2-(3-butoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
CID 166963203
4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 145490173
5-[5-(3-propoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine
CID 163309615
2-[3-[[5-fluoro-4-(4-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenoxy]-N-methylacetamide
CID 118729110
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-5-(3-propoxyphenyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-5-(3-propoxyphenyl)-1H-1,2,4-triazol-3-amine (CID 17129734) is N-(4-morpholin-4-ylphenyl)-5-(3-propoxyphenyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-5-(3-propoxyphenyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-5-(3-propoxyphenyl)-1H-1,2,4-triazol-3-amine is CCCOc1cccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)n[nH]2)c1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-5-(3-propoxyphenyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is SSVANLVHSXGNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-2-12-28-19-5-3-4-16(15-19)20-23-21(25-24-20)22-17-6-8-18(9-7-17)26-10-13-27-14-11-26/h3-9,15H,2,10-14H2,1H3,(H2,22,23,24,25).
What are the key properties of N-(4-morpholin-4-ylphenyl)-5-(3-propoxyphenyl)-1H-1,2,4-triazol-3-amine?
N-(4-morpholin-4-ylphenyl)-5-(3-propoxyphenyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 379.46 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-5-(3-propoxyphenyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 17129734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).