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

C17H15Cl2N5 — CID 112964133

IUPAC5-N-(2,4-dichlorophenyl)-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCCc1ccccc1Nc1nncc(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C17H15Cl2N5/c1-2-11-5-3-4-6-14(11)22-17-23-16(10-20-24-17)21-15-8-7-12(18)9-13(15)19/h3-10H,2H2,1H3,(H2,21,22,23,24)
InChIKeyHFVSBQMINYREAX-UHFFFAOYSA-N
MW360.25 g/mol
LogP5.23
Rot. Bonds5

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

5-N-(2,4-dichlorophenyl)-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112964133) has the molecular formula C17H15Cl2N5 and a molecular weight of 360.25 g/mol. Its IUPAC name is 5-N-(2,4-dichlorophenyl)-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,4-dichlorophenyl)-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112964133
Molecular FormulaC17H15Cl2N5
Molecular Weight360.25 g/mol
Exact Mass359.07
IUPAC Name5-N-(2,4-dichlorophenyl)-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCCc1ccccc1Nc1nncc(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C17H15Cl2N5/c1-2-11-5-3-4-6-14(11)22-17-23-16(10-20-24-17)21-15-8-7-12(18)9-13(15)19/h3-10H,2H2,1H3,(H2,21,22,23,24)
InChIKeyHFVSBQMINYREAX-UHFFFAOYSA-N
XLogP5.23
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 ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(2,4-dichlorophenyl)-5-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967110
3-N-(2,4-dichlorophenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112961614
5-N-[(2-chlorophenyl)methyl]-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112950247
5-N-(2,4-dichlorophenyl)-3-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953615
3-N-(3-chloro-4-methoxyphenyl)-5-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963998
3-N-(2,4-dichlorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938870
3-N-[(4-chlorophenyl)methyl]-5-N-(2,4-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112950719
5-N-(2,5-dichlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965518
3-N-(2,4-dichlorophenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969085
3-N-(2-ethylphenyl)-5-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940363
5-N-(4-chloro-2-methylphenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964692
3-N-benzyl-5-N-(2,4-dichlorophenyl)-3-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949519

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,4-dichlorophenyl)-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(2,4-dichlorophenyl)-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine (CID 112964133) is 5-N-(2,4-dichlorophenyl)-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(2,4-dichlorophenyl)-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(2,4-dichlorophenyl)-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine is CCc1ccccc1Nc1nncc(Nc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 5-N-(2,4-dichlorophenyl)-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is HFVSBQMINYREAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5/c1-2-11-5-3-4-6-14(11)22-17-23-16(10-20-24-17)21-15-8-7-12(18)9-13(15)19/h3-10H,2H2,1H3,(H2,21,22,23,24).
What are the key properties of 5-N-(2,4-dichlorophenyl)-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine?
5-N-(2,4-dichlorophenyl)-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 360.25 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,4-dichlorophenyl)-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112964133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).