4-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-diethylaniline

C13H14Cl2N4 — CID 56604948

IUPAC4-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(-c2nc(Cl)nc(Cl)n2)cc1
InChIInChI=1S/C13H14Cl2N4/c1-3-19(4-2)10-7-5-9(6-8-10)11-16-12(14)18-13(15)17-11/h5-8H,3-4H2,1-2H3
InChIKeyDVMZGPQSWUBKHL-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.69
Rot. Bonds4

About 4-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-diethylaniline

4-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-diethylaniline (PubChem CID 56604948) has the molecular formula C13H14Cl2N4 and a molecular weight of 297.19 g/mol. Its IUPAC name is 4-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-diethylaniline.

Molecular Properties

Compound Name4-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-diethylaniline
PubChem CID56604948
Molecular FormulaC13H14Cl2N4
Molecular Weight297.19 g/mol
Exact Mass296.06
IUPAC Name4-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(-c2nc(Cl)nc(Cl)n2)cc1
InChIInChI=1S/C13H14Cl2N4/c1-3-19(4-2)10-7-5-9(6-8-10)11-16-12(14)18-13(15)17-11/h5-8H,3-4H2,1-2H3
InChIKeyDVMZGPQSWUBKHL-UHFFFAOYSA-N
XLogP3.69
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-diethylaniline?
The IUPAC name of 4-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-diethylaniline (CID 56604948) is 4-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-diethylaniline.
What is the SMILES notation for 4-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-diethylaniline?
The canonical SMILES for 4-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-diethylaniline is CCN(CC)c1ccc(-c2nc(Cl)nc(Cl)n2)cc1.
What is the InChIKey of 4-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-diethylaniline?
The InChIKey is DVMZGPQSWUBKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4/c1-3-19(4-2)10-7-5-9(6-8-10)11-16-12(14)18-13(15)17-11/h5-8H,3-4H2,1-2H3.
What are the key properties of 4-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-diethylaniline?
4-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-diethylaniline has a molecular weight of 297.19 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-diethylaniline is sourced from PubChem (CID 56604948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).