4-N-(1-benzylindazol-5-yl)-2-N-(3,4-dichlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine

C24H19Cl2N7 — CID 23536251

IUPAC4-N-(1-benzylindazol-5-yl)-2-N-(3,4-dichlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCN(c1ccc(Cl)c(Cl)c1)c1ncnc(Nc2ccc3c(cnn3Cc3ccccc3)c2)n1
InChIInChI=1S/C24H19Cl2N7/c1-32(19-8-9-20(25)21(26)12-19)24-28-15-27-23(31-24)30-18-7-10-22-17(11-18)13-29-33(22)14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,27,28,30,31)
InChIKeyAATSAWCECYVOKN-UHFFFAOYSA-N
MW476.37 g/mol
LogP6.09
Rot. Bonds6

About 4-N-(1-benzylindazol-5-yl)-2-N-(3,4-dichlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine

4-N-(1-benzylindazol-5-yl)-2-N-(3,4-dichlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 23536251) has the molecular formula C24H19Cl2N7 and a molecular weight of 476.37 g/mol. Its IUPAC name is 4-N-(1-benzylindazol-5-yl)-2-N-(3,4-dichlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-benzylindazol-5-yl)-2-N-(3,4-dichlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID23536251
Molecular FormulaC24H19Cl2N7
Molecular Weight476.37 g/mol
Exact Mass475.11
IUPAC Name4-N-(1-benzylindazol-5-yl)-2-N-(3,4-dichlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCN(c1ccc(Cl)c(Cl)c1)c1ncnc(Nc2ccc3c(cnn3Cc3ccccc3)c2)n1
InChIInChI=1S/C24H19Cl2N7/c1-32(19-8-9-20(25)21(26)12-19)24-28-15-27-23(31-24)30-18-7-10-22-17(11-18)13-29-33(22)14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,27,28,30,31)
InChIKeyAATSAWCECYVOKN-UHFFFAOYSA-N
XLogP6.09
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.37
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-benzylindazol-5-yl)-2-N-(3,4-dichlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(1-benzylindazol-5-yl)-2-N-(3,4-dichlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine (CID 23536251) is 4-N-(1-benzylindazol-5-yl)-2-N-(3,4-dichlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(1-benzylindazol-5-yl)-2-N-(3,4-dichlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(1-benzylindazol-5-yl)-2-N-(3,4-dichlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine is CN(c1ccc(Cl)c(Cl)c1)c1ncnc(Nc2ccc3c(cnn3Cc3ccccc3)c2)n1.
What is the InChIKey of 4-N-(1-benzylindazol-5-yl)-2-N-(3,4-dichlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is AATSAWCECYVOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N7/c1-32(19-8-9-20(25)21(26)12-19)24-28-15-27-23(31-24)30-18-7-10-22-17(11-18)13-29-33(22)14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,27,28,30,31).
What are the key properties of 4-N-(1-benzylindazol-5-yl)-2-N-(3,4-dichlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
4-N-(1-benzylindazol-5-yl)-2-N-(3,4-dichlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 476.37 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-benzylindazol-5-yl)-2-N-(3,4-dichlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23536251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).