3,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazin-5-amine

C11H8Cl4N4 — CID 81037751

IUPAC3,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazin-5-amine
SMILESCC(Nc1nc(Cl)nnc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H8Cl4N4/c1-5(7-3-2-6(12)4-8(7)13)16-10-9(14)18-19-11(15)17-10/h2-5H,1H3,(H,16,17,19)
InChIKeyZTVZEGMVPUEMMS-UHFFFAOYSA-N
MW338.03 g/mol
LogP4.66
Rot. Bonds3

About 3,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazin-5-amine

3,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazin-5-amine (PubChem CID 81037751) has the molecular formula C11H8Cl4N4 and a molecular weight of 338.03 g/mol. Its IUPAC name is 3,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazin-5-amine
PubChem CID81037751
Molecular FormulaC11H8Cl4N4
Molecular Weight338.03 g/mol
Exact Mass335.95
IUPAC Name3,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazin-5-amine
SMILESCC(Nc1nc(Cl)nnc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H8Cl4N4/c1-5(7-3-2-6(12)4-8(7)13)16-10-9(14)18-19-11(15)17-10/h2-5H,1H3,(H,16,17,19)
InChIKeyZTVZEGMVPUEMMS-UHFFFAOYSA-N
XLogP4.66
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.03
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 167565538
3,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,2,4-triazin-5-amine
CID 81037604
5-chloro-4-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 164838647
2-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-6-(methyliminomethyl)pyrimidine-4,5-diamine
CID 176979189
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-amine
CID 176979256
6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62481913
N-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine
CID 112675534
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-methyltetrazol-5-amine
CID 167808600
4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80765341
3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43099454
N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine
CID 43080819
N-[1-(2,4-dichlorophenyl)ethyl]-6-methylpyridazin-3-amine
CID 61312514

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazin-5-amine (CID 81037751) is 3,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazin-5-amine is CC(Nc1nc(Cl)nnc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazin-5-amine?
The InChIKey is ZTVZEGMVPUEMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl4N4/c1-5(7-3-2-6(12)4-8(7)13)16-10-9(14)18-19-11(15)17-10/h2-5H,1H3,(H,16,17,19).
What are the key properties of 3,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazin-5-amine?
3,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazin-5-amine has a molecular weight of 338.03 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 81037751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).