4-N-(2-aminoethyl)-6-[[2,4-bis(dimethylamino)phenyl]diazenyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

C21H28N10 — CID 172782992

IUPAC4-N-(2-aminoethyl)-6-[[2,4-bis(dimethylamino)phenyl]diazenyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1ccc(/N=N/c2nc(NCCN)nc(Nc3ccccc3)n2)c(N(C)C)c1
InChIInChI=1S/C21H28N10/c1-30(2)16-10-11-17(18(14-16)31(3)4)28-29-21-26-19(23-13-12-22)25-20(27-21)24-15-8-6-5-7-9-15/h5-11,14H,12-13,22H2,1-4H3,(H2,23,24,25,26,27)/b29-28+
InChIKeyOMXZJZDMAFWVRI-ZQHSETAFSA-N
MW420.53 g/mol
LogP3.53
Rot. Bonds9

About 4-N-(2-aminoethyl)-6-[[2,4-bis(dimethylamino)phenyl]diazenyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

4-N-(2-aminoethyl)-6-[[2,4-bis(dimethylamino)phenyl]diazenyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 172782992) has the molecular formula C21H28N10 and a molecular weight of 420.53 g/mol. Its IUPAC name is 4-N-(2-aminoethyl)-6-[[2,4-bis(dimethylamino)phenyl]diazenyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-aminoethyl)-6-[[2,4-bis(dimethylamino)phenyl]diazenyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID172782992
Molecular FormulaC21H28N10
Molecular Weight420.53 g/mol
Exact Mass420.25
IUPAC Name4-N-(2-aminoethyl)-6-[[2,4-bis(dimethylamino)phenyl]diazenyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1ccc(/N=N/c2nc(NCCN)nc(Nc3ccccc3)n2)c(N(C)C)c1
InChIInChI=1S/C21H28N10/c1-30(2)16-10-11-17(18(14-16)31(3)4)28-29-21-26-19(23-13-12-22)25-20(27-21)24-15-8-6-5-7-9-15/h5-11,14H,12-13,22H2,1-4H3,(H2,23,24,25,26,27)/b29-28+
InChIKeyOMXZJZDMAFWVRI-ZQHSETAFSA-N
XLogP3.53
TPSA119.95 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-aminoethyl)-6-[[2,4-bis(dimethylamino)phenyl]diazenyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(2-aminoethyl)-6-[[2,4-bis(dimethylamino)phenyl]diazenyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 172782992) is 4-N-(2-aminoethyl)-6-[[2,4-bis(dimethylamino)phenyl]diazenyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(2-aminoethyl)-6-[[2,4-bis(dimethylamino)phenyl]diazenyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(2-aminoethyl)-6-[[2,4-bis(dimethylamino)phenyl]diazenyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is CN(C)c1ccc(/N=N/c2nc(NCCN)nc(Nc3ccccc3)n2)c(N(C)C)c1.
What is the InChIKey of 4-N-(2-aminoethyl)-6-[[2,4-bis(dimethylamino)phenyl]diazenyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is OMXZJZDMAFWVRI-ZQHSETAFSA-N. The full InChI is InChI=1S/C21H28N10/c1-30(2)16-10-11-17(18(14-16)31(3)4)28-29-21-26-19(23-13-12-22)25-20(27-21)24-15-8-6-5-7-9-15/h5-11,14H,12-13,22H2,1-4H3,(H2,23,24,25,26,27)/b29-28+.
What are the key properties of 4-N-(2-aminoethyl)-6-[[2,4-bis(dimethylamino)phenyl]diazenyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
4-N-(2-aminoethyl)-6-[[2,4-bis(dimethylamino)phenyl]diazenyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 420.53 g/mol, XLogP of 3.53, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-aminoethyl)-6-[[2,4-bis(dimethylamino)phenyl]diazenyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 172782992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).