2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine

C24H24N6 — CID 11372871

IUPAC2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
SMILESc1ccc(CNc2nc(NCc3ccccc3)nc(NCc3ccccc3)n2)cc1
InChIInChI=1S/C24H24N6/c1-4-10-19(11-5-1)16-25-22-28-23(26-17-20-12-6-2-7-13-20)30-24(29-22)27-18-21-14-8-3-9-15-21/h1-15H,16-18H2,(H3,25,26,27,28,29,30)
InChIKeyWNHWOHOTTGCSET-UHFFFAOYSA-N
MW396.50 g/mol
LogP4.71
Rot. Bonds9

About 2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine

2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 11372871) has the molecular formula C24H24N6 and a molecular weight of 396.50 g/mol. Its IUPAC name is 2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
PubChem CID11372871
Molecular FormulaC24H24N6
Molecular Weight396.50 g/mol
Exact Mass396.21
IUPAC Name2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
SMILESc1ccc(CNc2nc(NCc3ccccc3)nc(NCc3ccccc3)n2)cc1
InChIInChI=1S/C24H24N6/c1-4-10-19(11-5-1)16-25-22-28-23(26-17-20-12-6-2-7-13-20)30-24(29-22)27-18-21-14-8-3-9-15-21/h1-15H,16-18H2,(H3,25,26,27,28,29,30)
InChIKeyWNHWOHOTTGCSET-UHFFFAOYSA-N
XLogP4.71
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589426
2-N,4-N-dibenzylpyrimidine-2,4,6-triamine
CID 100996925
N-benzyl-1,2,4,5-tetrazin-3-amine
CID 66725267
4-N-benzyl-2-N-[[3-[[[4-(benzylamino)-6-(pentylamino)-1,3,5-triazin-2-yl]amino]methyl]phenyl]methyl]-6-N-pentyl-1,3,5-triazine-2,4,6-triamine
CID 11093629
N-benzyl-4-tert-butyl-6-methyl-1,3,5-triazin-2-amine
CID 86220386
N-benzyl-4-methyl-6-phenylpyrimidin-2-amine
CID 13126867
4-N-benzyl-2-N-(2-methylprop-2-enyl)-1,3,5-triazine-2,4,6-triamine
CID 54014902
N-benzyl-4,6-bis(3-methylbutyl)pyrimidin-2-amine
CID 25130562
4,6-dichloro-N-[(4-phenylphenyl)methyl]-1,3,5-triazin-2-amine
CID 135338526
CID 163931246
CID 163931246
2-N,4-N-dibenzyl-6-dodecylsulfanyl-1,3,5-triazine-2,4-diamine
CID 159127421
2-N-benzyl-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80771043

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine (CID 11372871) is 2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine is c1ccc(CNc2nc(NCc3ccccc3)nc(NCc3ccccc3)n2)cc1.
What is the InChIKey of 2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is WNHWOHOTTGCSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6/c1-4-10-19(11-5-1)16-25-22-28-23(26-17-20-12-6-2-7-13-20)30-24(29-22)27-18-21-14-8-3-9-15-21/h1-15H,16-18H2,(H3,25,26,27,28,29,30).
What are the key properties of 2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 396.50 g/mol, XLogP of 4.71, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 11372871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).