3-N-(2,6-dichlorophenyl)-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine

C17H15Cl2N5 — CID 112949025

IUPAC3-N-(2,6-dichlorophenyl)-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
SMILESCC(Nc1cnnc(Nc2c(Cl)cccc2Cl)n1)c1ccccc1
InChIInChI=1S/C17H15Cl2N5/c1-11(12-6-3-2-4-7-12)21-15-10-20-24-17(22-15)23-16-13(18)8-5-9-14(16)19/h2-11H,1H3,(H2,21,22,23,24)
InChIKeyNDMOGUPAYOGJGI-UHFFFAOYSA-N
MW360.25 g/mol
LogP5.10
Rot. Bonds5

About 3-N-(2,6-dichlorophenyl)-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine

3-N-(2,6-dichlorophenyl)-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112949025) has the molecular formula C17H15Cl2N5 and a molecular weight of 360.25 g/mol. Its IUPAC name is 3-N-(2,6-dichlorophenyl)-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(2,6-dichlorophenyl)-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
PubChem CID112949025
Molecular FormulaC17H15Cl2N5
Molecular Weight360.25 g/mol
Exact Mass359.07
IUPAC Name3-N-(2,6-dichlorophenyl)-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
SMILESCC(Nc1cnnc(Nc2c(Cl)cccc2Cl)n1)c1ccccc1
InChIInChI=1S/C17H15Cl2N5/c1-11(12-6-3-2-4-7-12)21-15-10-20-24-17(22-15)23-16-13(18)8-5-9-14(16)19/h2-11H,1H3,(H2,21,22,23,24)
InChIKeyNDMOGUPAYOGJGI-UHFFFAOYSA-N
XLogP5.10
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.25
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[4-(dimethylamino)phenyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112948995
5-N-(3-chloro-4-fluorophenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112949132
2,6-dichloro-N-(1-phenylethyl)aniline
CID 65467797
3-N-[(2-methylphenyl)methyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112948033
ethyl 2-[[5-(1-phenylethylamino)-1,2,4-triazin-3-yl]amino]benzoate
CID 112949030
3-N-(2,6-dichlorophenyl)-5-N-(3-phenylpropyl)-1,2,4-triazine-3,5-diamine
CID 112958531
5-N-(5-chloro-2-methylphenyl)-3-N-(2,6-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966307
5-N-(2,6-dichlorophenyl)-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967444
3-N-(2,3-dichlorophenyl)-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964816
5-N-(2,4-dimethylphenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112949106
3-N-(3-chloro-4-methoxyphenyl)-5-N-(2,6-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966875
3-N-(1-phenylethyl)-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112949051

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,6-dichlorophenyl)-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(2,6-dichlorophenyl)-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine (CID 112949025) is 3-N-(2,6-dichlorophenyl)-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(2,6-dichlorophenyl)-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(2,6-dichlorophenyl)-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine is CC(Nc1cnnc(Nc2c(Cl)cccc2Cl)n1)c1ccccc1.
What is the InChIKey of 3-N-(2,6-dichlorophenyl)-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is NDMOGUPAYOGJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5/c1-11(12-6-3-2-4-7-12)21-15-10-20-24-17(22-15)23-16-13(18)8-5-9-14(16)19/h2-11H,1H3,(H2,21,22,23,24).
What are the key properties of 3-N-(2,6-dichlorophenyl)-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine?
3-N-(2,6-dichlorophenyl)-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 360.25 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,6-dichlorophenyl)-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112949025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).