4-[[4-(4-methylpiperazin-1-yl)phenyl]methyldiazenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine

C25H31N9O — CID 123946294

IUPAC4-[[4-(4-methylpiperazin-1-yl)phenyl]methyldiazenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
SMILESCN1CCN(c2ccc(C/N=N/c3nc(Nc4ccccc4)nc(N4CCOCC4)n3)cc2)CC1
InChIInChI=1S/C25H31N9O/c1-32-11-13-33(14-12-32)22-9-7-20(8-10-22)19-26-31-24-28-23(27-21-5-3-2-4-6-21)29-25(30-24)34-15-17-35-18-16-34/h2-10H,11-19H2,1H3,(H,27,28,29,30)/b31-26+
InChIKeyYTHDSDRDTQPYGS-GKPLWNPISA-N
MW473.59 g/mol
LogP3.49
Rot. Bonds7

About 4-[[4-(4-methylpiperazin-1-yl)phenyl]methyldiazenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine

4-[[4-(4-methylpiperazin-1-yl)phenyl]methyldiazenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine (PubChem CID 123946294) has the molecular formula C25H31N9O and a molecular weight of 473.59 g/mol. Its IUPAC name is 4-[[4-(4-methylpiperazin-1-yl)phenyl]methyldiazenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[[4-(4-methylpiperazin-1-yl)phenyl]methyldiazenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
PubChem CID123946294
Molecular FormulaC25H31N9O
Molecular Weight473.59 g/mol
Exact Mass473.27
IUPAC Name4-[[4-(4-methylpiperazin-1-yl)phenyl]methyldiazenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
SMILESCN1CCN(c2ccc(C/N=N/c3nc(Nc4ccccc4)nc(N4CCOCC4)n3)cc2)CC1
InChIInChI=1S/C25H31N9O/c1-32-11-13-33(14-12-32)22-9-7-20(8-10-22)19-26-31-24-28-23(27-21-5-3-2-4-6-21)29-25(30-24)34-15-17-35-18-16-34/h2-10H,11-19H2,1H3,(H,27,28,29,30)/b31-26+
InChIKeyYTHDSDRDTQPYGS-GKPLWNPISA-N
XLogP3.49
TPSA94.37 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.59
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-morpholin-4-yl-N-phenyl-6-[(2-phenylmethoxyphenyl)methyldiazenyl]-1,3,5-triazin-2-amine
CID 170922711
4-[[4-(2,2-difluoroethyl)phenyl]methyldiazenyl]-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 123356804
4-morpholin-4-yl-6-[(6-nitro-1,3-benzodioxol-5-yl)methyldiazenyl]-N-phenyl-1,3,5-triazin-2-amine
CID 123399322
4-[(3,4-dichlorophenyl)methyldiazenyl]-6-morpholin-4-yl-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine
CID 90864311
6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 22115031
4-[[6-[5-[[4-[(2,6-difluorophenyl)methyldiazenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]naphthalen-2-yl]methyldiazenyl]-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 123743430
4-methoxy-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 1077239
6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine
CID 10074710
N-(3,4-dimethylphenyl)-4-morpholin-4-yl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 42477791
2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580405
2-N-(4-chlorophenyl)-4-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 7192046
2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 39847761

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methylpiperazin-1-yl)phenyl]methyldiazenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[[4-(4-methylpiperazin-1-yl)phenyl]methyldiazenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine (CID 123946294) is 4-[[4-(4-methylpiperazin-1-yl)phenyl]methyldiazenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[[4-(4-methylpiperazin-1-yl)phenyl]methyldiazenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[[4-(4-methylpiperazin-1-yl)phenyl]methyldiazenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine is CN1CCN(c2ccc(C/N=N/c3nc(Nc4ccccc4)nc(N4CCOCC4)n3)cc2)CC1.
What is the InChIKey of 4-[[4-(4-methylpiperazin-1-yl)phenyl]methyldiazenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine?
The InChIKey is YTHDSDRDTQPYGS-GKPLWNPISA-N. The full InChI is InChI=1S/C25H31N9O/c1-32-11-13-33(14-12-32)22-9-7-20(8-10-22)19-26-31-24-28-23(27-21-5-3-2-4-6-21)29-25(30-24)34-15-17-35-18-16-34/h2-10H,11-19H2,1H3,(H,27,28,29,30)/b31-26+.
What are the key properties of 4-[[4-(4-methylpiperazin-1-yl)phenyl]methyldiazenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine?
4-[[4-(4-methylpiperazin-1-yl)phenyl]methyldiazenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine has a molecular weight of 473.59 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methylpiperazin-1-yl)phenyl]methyldiazenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 123946294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).