6-N-benzyl-4-N-[(E)-benzylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride

C19H22ClN7 — CID 146051345

IUPAC6-N-benzyl-4-N-[(E)-benzylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESCN(C)c1nc(NCc2ccccc2)nc(N/N=C/c2ccccc2)n1.Cl
InChIInChI=1S/C19H21N7.ClH/c1-26(2)19-23-17(20-13-15-9-5-3-6-10-15)22-18(24-19)25-21-14-16-11-7-4-8-12-16;/h3-12,14H,13H2,1-2H3,(H2,20,22,23,24,25);1H/b21-14+;
InChIKeyHDYQNJGGUNJTFT-UNLLECTCSA-N
MW383.89 g/mol
LogP3.42
Rot. Bonds7

About 6-N-benzyl-4-N-[(E)-benzylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride

6-N-benzyl-4-N-[(E)-benzylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride (PubChem CID 146051345) has the molecular formula C19H22ClN7 and a molecular weight of 383.89 g/mol. Its IUPAC name is 6-N-benzyl-4-N-[(E)-benzylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride.

Molecular Properties

Compound Name6-N-benzyl-4-N-[(E)-benzylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
PubChem CID146051345
Molecular FormulaC19H22ClN7
Molecular Weight383.89 g/mol
Exact Mass383.16
IUPAC Name6-N-benzyl-4-N-[(E)-benzylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESCN(C)c1nc(NCc2ccccc2)nc(N/N=C/c2ccccc2)n1.Cl
InChIInChI=1S/C19H21N7.ClH/c1-26(2)19-23-17(20-13-15-9-5-3-6-10-15)22-18(24-19)25-21-14-16-11-7-4-8-12-16;/h3-12,14H,13H2,1-2H3,(H2,20,22,23,24,25);1H/b21-14+;
InChIKeyHDYQNJGGUNJTFT-UNLLECTCSA-N
XLogP3.42
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.89
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-N-benzyl-4-N-[(E)-benzylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 136691673
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
4-[(Z)-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-bromo-6-methoxyphenol
CID 137088966
2-[(E)-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-chlorophenol
CID 135531648
4-N-(benzylideneamino)-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 4213211
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-[[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-bromo-6-nitrophenol
CID 4532267
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
4-N-benzyl-6-morpholin-4-yl-2-N-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine;hydrochloride
CID 91962061
2-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-N-benzyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 56691085

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-4-N-[(E)-benzylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The IUPAC name of 6-N-benzyl-4-N-[(E)-benzylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride (CID 146051345) is 6-N-benzyl-4-N-[(E)-benzylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride.
What is the SMILES notation for 6-N-benzyl-4-N-[(E)-benzylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The canonical SMILES for 6-N-benzyl-4-N-[(E)-benzylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride is CN(C)c1nc(NCc2ccccc2)nc(N/N=C/c2ccccc2)n1.Cl.
What is the InChIKey of 6-N-benzyl-4-N-[(E)-benzylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The InChIKey is HDYQNJGGUNJTFT-UNLLECTCSA-N. The full InChI is InChI=1S/C19H21N7.ClH/c1-26(2)19-23-17(20-13-15-9-5-3-6-10-15)22-18(24-19)25-21-14-16-11-7-4-8-12-16;/h3-12,14H,13H2,1-2H3,(H2,20,22,23,24,25);1H/b21-14+;.
What are the key properties of 6-N-benzyl-4-N-[(E)-benzylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
6-N-benzyl-4-N-[(E)-benzylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride has a molecular weight of 383.89 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-4-N-[(E)-benzylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride is sourced from PubChem (CID 146051345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).