N,N-diethyl-4-[(3-methylphenyl)methyldiazenyl]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-amine

C21H31N7O2 — CID 91298050

IUPACN,N-diethyl-4-[(3-methylphenyl)methyldiazenyl]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(/N=N/Cc2cccc(C)c2)nc(OCCN2CCOCC2)n1
InChIInChI=1S/C21H31N7O2/c1-4-28(5-2)20-23-19(26-22-16-18-8-6-7-17(3)15-18)24-21(25-20)30-14-11-27-9-12-29-13-10-27/h6-8,15H,4-5,9-14,16H2,1-3H3/b26-22+
InChIKeyGZQJPBWDGAWCMM-XTCLZLMSSA-N
MW413.53 g/mol
LogP3.02
Rot. Bonds10

About N,N-diethyl-4-[(3-methylphenyl)methyldiazenyl]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-amine

N,N-diethyl-4-[(3-methylphenyl)methyldiazenyl]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-amine (PubChem CID 91298050) has the molecular formula C21H31N7O2 and a molecular weight of 413.53 g/mol. Its IUPAC name is N,N-diethyl-4-[(3-methylphenyl)methyldiazenyl]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-[(3-methylphenyl)methyldiazenyl]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-amine
PubChem CID91298050
Molecular FormulaC21H31N7O2
Molecular Weight413.53 g/mol
Exact Mass413.25
IUPAC NameN,N-diethyl-4-[(3-methylphenyl)methyldiazenyl]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(/N=N/Cc2cccc(C)c2)nc(OCCN2CCOCC2)n1
InChIInChI=1S/C21H31N7O2/c1-4-28(5-2)20-23-19(26-22-16-18-8-6-7-17(3)15-18)24-21(25-20)30-14-11-27-9-12-29-13-10-27/h6-8,15H,4-5,9-14,16H2,1-3H3/b26-22+
InChIKeyGZQJPBWDGAWCMM-XTCLZLMSSA-N
XLogP3.02
TPSA88.33 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[3,5-difluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
CID 91388459
(2,6-dimorpholin-4-ylpyrimidin-4-yl)-[(3-methylphenyl)methyl]diazene
CID 91896224
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
[6-[2-(4-ethyl-3-methylidenepiperazin-1-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
CID 91248171
2-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl N-(4-methylphenyl)carbamate
CID 91376685
6-(dipropylamino)-N'-(3-methylphenyl)-2-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide
CID 71193788
6-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N,N-diethyl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
CID 58060245
3-[2-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-4-yl]propylboronic acid
CID 91101589
1-ethyl-2-[(3-methylphenyl)methyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111900717
4-N,4-N-dimethyl-2-(2-morpholin-4-ylethoxy)pyrimidine-4,6-diamine;(3-methylphenyl)methanimine;molecular hydrogen
CID 143846877
4-[2-[6-(3-methylphenyl)quinazolin-2-yl]oxyethyl]morpholine
CID 90689533
4-[2-[[6-(3-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 91484041

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(3-methylphenyl)methyldiazenyl]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N,N-diethyl-4-[(3-methylphenyl)methyldiazenyl]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-amine (CID 91298050) is N,N-diethyl-4-[(3-methylphenyl)methyldiazenyl]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-diethyl-4-[(3-methylphenyl)methyldiazenyl]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-diethyl-4-[(3-methylphenyl)methyldiazenyl]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-amine is CCN(CC)c1nc(/N=N/Cc2cccc(C)c2)nc(OCCN2CCOCC2)n1.
What is the InChIKey of N,N-diethyl-4-[(3-methylphenyl)methyldiazenyl]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-amine?
The InChIKey is GZQJPBWDGAWCMM-XTCLZLMSSA-N. The full InChI is InChI=1S/C21H31N7O2/c1-4-28(5-2)20-23-19(26-22-16-18-8-6-7-17(3)15-18)24-21(25-20)30-14-11-27-9-12-29-13-10-27/h6-8,15H,4-5,9-14,16H2,1-3H3/b26-22+.
What are the key properties of N,N-diethyl-4-[(3-methylphenyl)methyldiazenyl]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-amine?
N,N-diethyl-4-[(3-methylphenyl)methyldiazenyl]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-amine has a molecular weight of 413.53 g/mol, XLogP of 3.02, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(3-methylphenyl)methyldiazenyl]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 91298050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).