2-[[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol

C19H21N7O — CID 136691673

IUPAC2-[[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
SMILESCN(C)c1nc(NCc2ccccc2)nc(NN=Cc2ccccc2O)n1
InChIInChI=1S/C19H21N7O/c1-26(2)19-23-17(20-12-14-8-4-3-5-9-14)22-18(24-19)25-21-13-15-10-6-7-11-16(15)27/h3-11,13,27H,12H2,1-2H3,(H2,20,22,23,24,25)
InChIKeyCHWZZBPEKZHITF-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.70
Rot. Bonds7

About 2-[[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol

2-[[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol (PubChem CID 136691673) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 2-[[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
PubChem CID136691673
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name2-[[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
SMILESCN(C)c1nc(NCc2ccccc2)nc(NN=Cc2ccccc2O)n1
InChIInChI=1S/C19H21N7O/c1-26(2)19-23-17(20-12-14-8-4-3-5-9-14)22-18(24-19)25-21-13-15-10-6-7-11-16(15)27/h3-11,13,27H,12H2,1-2H3,(H2,20,22,23,24,25)
InChIKeyCHWZZBPEKZHITF-UHFFFAOYSA-N
XLogP2.70
TPSA98.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-chlorophenol
CID 135531648
6-N-benzyl-4-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 6092695
4-[(Z)-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-6-bromobenzene-1,3-diol
CID 135909213
6-N-benzyl-4-N-[(E)-benzylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 146051345
2-[(E)-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-dinitrophenol
CID 71683397
2-[[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-6-bromo-4-nitrophenol
CID 5182403
2-[(Z)-[[4-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-(N-phenylanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 136898159
2-[[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-bromo-6-nitrophenol
CID 4532267
4-[(Z)-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-bromo-6-methoxyphenol
CID 137088966
6-N-benzyl-2-N-[(Z)-(2-fluorophenyl)methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 171978862
2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 135419565
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol (CID 136691673) is 2-[[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol is CN(C)c1nc(NCc2ccccc2)nc(NN=Cc2ccccc2O)n1.
What is the InChIKey of 2-[[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol?
The InChIKey is CHWZZBPEKZHITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-26(2)19-23-17(20-12-14-8-4-3-5-9-14)22-18(24-19)25-21-13-15-10-6-7-11-16(15)27/h3-11,13,27H,12H2,1-2H3,(H2,20,22,23,24,25).
What are the key properties of 2-[[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol?
2-[[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol has a molecular weight of 363.43 g/mol, XLogP of 2.70, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136691673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).