2-N-[(E)-3H-inden-1-ylmethylideneamino]-4-N-(4-methylphenyl)-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine

C24H26N8 — CID 172920458

IUPAC2-N-[(E)-3H-inden-1-ylmethylideneamino]-4-N-(4-methylphenyl)-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(N/N=C/C3=CCc4ccccc43)nc(N3CCNCC3)n2)cc1
InChIInChI=1S/C24H26N8/c1-17-6-10-20(11-7-17)27-22-28-23(30-24(29-22)32-14-12-25-13-15-32)31-26-16-19-9-8-18-4-2-3-5-21(18)19/h2-7,9-11,16,25H,8,12-15H2,1H3,(H2,27,28,29,30,31)/b26-16+
InChIKeyXWRYDTVEYUCIPW-WGOQTCKBSA-N
MW426.53 g/mol
LogP3.37
Rot. Bonds6

About 2-N-[(E)-3H-inden-1-ylmethylideneamino]-4-N-(4-methylphenyl)-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine

2-N-[(E)-3H-inden-1-ylmethylideneamino]-4-N-(4-methylphenyl)-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 172920458) has the molecular formula C24H26N8 and a molecular weight of 426.53 g/mol. Its IUPAC name is 2-N-[(E)-3H-inden-1-ylmethylideneamino]-4-N-(4-methylphenyl)-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(E)-3H-inden-1-ylmethylideneamino]-4-N-(4-methylphenyl)-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID172920458
Molecular FormulaC24H26N8
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC Name2-N-[(E)-3H-inden-1-ylmethylideneamino]-4-N-(4-methylphenyl)-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(N/N=C/C3=CCc4ccccc43)nc(N3CCNCC3)n2)cc1
InChIInChI=1S/C24H26N8/c1-17-6-10-20(11-7-17)27-22-28-23(30-24(29-22)32-14-12-25-13-15-32)31-26-16-19-9-8-18-4-2-3-5-21(18)19/h2-7,9-11,16,25H,8,12-15H2,1H3,(H2,27,28,29,30,31)/b26-16+
InChIKeyXWRYDTVEYUCIPW-WGOQTCKBSA-N
XLogP3.37
TPSA90.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-N-[(E)-3H-inden-1-ylmethylideneamino]-4-N-(4-methylphenyl)-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine 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

6-(azetidin-1-yl)-2-N-[(E)-3H-inden-1-ylmethylideneamino]-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 172952007
2-N-[(E)-3H-inden-1-ylmethylideneamino]-4-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 172964043
2-N-(3,5-dimethylphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
CID 24877203
2-N-[(E)-benzylideneamino]-6-(4-benzylpiperidin-1-yl)-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride
CID 90484633
4-chloro-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-N-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)benzene-1,4-diamine;1-N-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;4,6-dichloro-N-(4-methylphenyl)-1,3,5-triazin-2-amine;4-N-[4-(dimethylamino)phenyl]-2-N-[(E)-1H-indol-3-ylmethylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;1-N-(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;3H-indene-1-carbaldehyde;4-methylaniline;2,4,6-trichloro-1,3,5-triazine
CID 172952213
2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 136843437
4-N-(4-methylphenyl)-6-morpholin-4-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine
CID 153389162
2-N-(4-ethoxyphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
CID 24877079
2-N-[(E)-(4-methylphenyl)methylideneamino]-4-N-(4-nitrophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 92864195
2-N-[(Z)-[5-(2-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 94845058
4-N-(4-methylphenyl)-2-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 171981603
4-N-(4-fluorophenyl)-2-N-[(E)-(2-fluorophenyl)methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 5334866

Frequently Asked Questions

What is the IUPAC name of 2-N-[(E)-3H-inden-1-ylmethylideneamino]-4-N-(4-methylphenyl)-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(E)-3H-inden-1-ylmethylideneamino]-4-N-(4-methylphenyl)-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine (CID 172920458) is 2-N-[(E)-3H-inden-1-ylmethylideneamino]-4-N-(4-methylphenyl)-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(E)-3H-inden-1-ylmethylideneamino]-4-N-(4-methylphenyl)-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(E)-3H-inden-1-ylmethylideneamino]-4-N-(4-methylphenyl)-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine is Cc1ccc(Nc2nc(N/N=C/C3=CCc4ccccc43)nc(N3CCNCC3)n2)cc1.
What is the InChIKey of 2-N-[(E)-3H-inden-1-ylmethylideneamino]-4-N-(4-methylphenyl)-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is XWRYDTVEYUCIPW-WGOQTCKBSA-N. The full InChI is InChI=1S/C24H26N8/c1-17-6-10-20(11-7-17)27-22-28-23(30-24(29-22)32-14-12-25-13-15-32)31-26-16-19-9-8-18-4-2-3-5-21(18)19/h2-7,9-11,16,25H,8,12-15H2,1H3,(H2,27,28,29,30,31)/b26-16+.
What are the key properties of 2-N-[(E)-3H-inden-1-ylmethylideneamino]-4-N-(4-methylphenyl)-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-[(E)-3H-inden-1-ylmethylideneamino]-4-N-(4-methylphenyl)-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 426.53 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(E)-3H-inden-1-ylmethylideneamino]-4-N-(4-methylphenyl)-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 172920458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).