2-[[4,6-bis(2-hydroxy-N-methanidylanilino)-1,3,5-triazin-2-yl]-methanidylamino]phenol;tris(rutherfordium)

C24H21N6O3Rf3-3 — CID 58059752

IUPAC2-[[4,6-bis(2-hydroxy-N-methanidylanilino)-1,3,5-triazin-2-yl]-methanidylamino]phenol;tris(rutherfordium)
SMILES[CH2-]N(c1nc(N([CH2-])c2ccccc2O)nc(N([CH2-])c2ccccc2O)n1)c1ccccc1O.[Rf].[Rf].[Rf]
InChIInChI=1S/C24H21N6O3.3Rf/c1-28(16-10-4-7-13-19(16)31)22-25-23(29(2)17-11-5-8-14-20(17)32)27-24(26-22)30(3)18-12-6-9-15-21(18)33;;;/h4-15,31-33H,1-3H2;;;/q-3;;;
InChIKeyHGCMVGDHNSQBOF-UHFFFAOYSA-N
MW1242.47 g/mol
LogP4.78
Rot. Bonds6

About 2-[[4,6-bis(2-hydroxy-N-methanidylanilino)-1,3,5-triazin-2-yl]-methanidylamino]phenol;tris(rutherfordium)

2-[[4,6-bis(2-hydroxy-N-methanidylanilino)-1,3,5-triazin-2-yl]-methanidylamino]phenol;tris(rutherfordium) (PubChem CID 58059752) has the molecular formula C24H21N6O3Rf3-3 and a molecular weight of 1242.47 g/mol. Its IUPAC name is 2-[[4,6-bis(2-hydroxy-N-methanidylanilino)-1,3,5-triazin-2-yl]-methanidylamino]phenol;tris(rutherfordium).

Molecular Properties

Compound Name2-[[4,6-bis(2-hydroxy-N-methanidylanilino)-1,3,5-triazin-2-yl]-methanidylamino]phenol;tris(rutherfordium)
PubChem CID58059752
Molecular FormulaC24H21N6O3Rf3-3
Molecular Weight1242.47 g/mol
Exact Mass1242.53
IUPAC Name2-[[4,6-bis(2-hydroxy-N-methanidylanilino)-1,3,5-triazin-2-yl]-methanidylamino]phenol;tris(rutherfordium)
SMILES[CH2-]N(c1nc(N([CH2-])c2ccccc2O)nc(N([CH2-])c2ccccc2O)n1)c1ccccc1O.[Rf].[Rf].[Rf]
InChIInChI=1S/C24H21N6O3.3Rf/c1-28(16-10-4-7-13-19(16)31)22-25-23(29(2)17-11-5-8-14-20(17)32)27-24(26-22)30(3)18-12-6-9-15-21(18)33;;;/h4-15,31-33H,1-3H2;;;/q-3;;;
InChIKeyHGCMVGDHNSQBOF-UHFFFAOYSA-N
XLogP4.78
TPSA109.08 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001242.47
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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p,p',p''-(1,3,5-Triazine-2,4,6-triyltriimino)trisphenol
CID 9909071
2-[(4,6-Dimethoxy-1,3,5-triazin-2-yl)amino]phenol
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2-[[5-(4-fluoro-N-methylanilino)-4-methyl-1,2,4-triazol-3-yl]-methylamino]phenol
CID 58324666
2-[Bis(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenol
CID 21820763
2-((4-Chloro-1,3,5-triazin-2-yl)amino)phenol
CID 129833666
2-N,4-N,6-N-tris(4-deuteriooxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 178340843
4-Arsenoso-2-((4,6-diamino-s-triazin-2-yl)amino)phenol
CID 16206864
2-(5'-Arsono-2'-hydroxyanilino)-4,6-diamino-s-triazine sesquisodium salt
CID 135564241
2-{[4-(Tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino}phenol
CID 830853
4,4'-{[6-(4-Morpholinyl)-1,3,5-triazine-2,4-diyl]diimino}diphenol
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Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis(2-hydroxy-N-methanidylanilino)-1,3,5-triazin-2-yl]-methanidylamino]phenol;tris(rutherfordium)?
The IUPAC name of 2-[[4,6-bis(2-hydroxy-N-methanidylanilino)-1,3,5-triazin-2-yl]-methanidylamino]phenol;tris(rutherfordium) (CID 58059752) is 2-[[4,6-bis(2-hydroxy-N-methanidylanilino)-1,3,5-triazin-2-yl]-methanidylamino]phenol;tris(rutherfordium).
What is the SMILES notation for 2-[[4,6-bis(2-hydroxy-N-methanidylanilino)-1,3,5-triazin-2-yl]-methanidylamino]phenol;tris(rutherfordium)?
The canonical SMILES for 2-[[4,6-bis(2-hydroxy-N-methanidylanilino)-1,3,5-triazin-2-yl]-methanidylamino]phenol;tris(rutherfordium) is [CH2-]N(c1nc(N([CH2-])c2ccccc2O)nc(N([CH2-])c2ccccc2O)n1)c1ccccc1O.[Rf].[Rf].[Rf].
What is the InChIKey of 2-[[4,6-bis(2-hydroxy-N-methanidylanilino)-1,3,5-triazin-2-yl]-methanidylamino]phenol;tris(rutherfordium)?
The InChIKey is HGCMVGDHNSQBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N6O3.3Rf/c1-28(16-10-4-7-13-19(16)31)22-25-23(29(2)17-11-5-8-14-20(17)32)27-24(26-22)30(3)18-12-6-9-15-21(18)33;;;/h4-15,31-33H,1-3H2;;;/q-3;;;.
What are the key properties of 2-[[4,6-bis(2-hydroxy-N-methanidylanilino)-1,3,5-triazin-2-yl]-methanidylamino]phenol;tris(rutherfordium)?
2-[[4,6-bis(2-hydroxy-N-methanidylanilino)-1,3,5-triazin-2-yl]-methanidylamino]phenol;tris(rutherfordium) has a molecular weight of 1242.47 g/mol, XLogP of 4.78, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis(2-hydroxy-N-methanidylanilino)-1,3,5-triazin-2-yl]-methanidylamino]phenol;tris(rutherfordium) is sourced from PubChem (CID 58059752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).