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

C17H15Cl2N5 — CID 112963797

IUPAC5-N-(3,5-dichlorophenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1cccc(C)c1Nc1nncc(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C17H15Cl2N5/c1-10-4-3-5-11(2)16(10)23-17-22-15(9-20-24-17)21-14-7-12(18)6-13(19)8-14/h3-9H,1-2H3,(H2,21,22,23,24)
InChIKeyHOVXEGYUTXDWIZ-UHFFFAOYSA-N
MW360.25 g/mol
LogP5.28
Rot. Bonds4

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

5-N-(3,5-dichlorophenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112963797) has the molecular formula C17H15Cl2N5 and a molecular weight of 360.25 g/mol. Its IUPAC name is 5-N-(3,5-dichlorophenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(3,5-dichlorophenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112963797
Molecular FormulaC17H15Cl2N5
Molecular Weight360.25 g/mol
Exact Mass359.07
IUPAC Name5-N-(3,5-dichlorophenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1cccc(C)c1Nc1nncc(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C17H15Cl2N5/c1-10-4-3-5-11(2)16(10)23-17-22-15(9-20-24-17)21-14-7-12(18)6-13(19)8-14/h3-9H,1-2H3,(H2,21,22,23,24)
InChIKeyHOVXEGYUTXDWIZ-UHFFFAOYSA-N
XLogP5.28
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.25
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N,5-N-bis(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963643
5-N-(3,5-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969577
5-N-(5-chloro-2-methylphenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963744
5-N-(3-chloro-4-methoxyphenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963748
3-N-(3-chlorophenyl)-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963487
5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963788
N-[3-[[5-(3,5-dichloroanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112968532
5-N-(2-bromo-4-methylphenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963784
5-N-(5-chloro-2-methylphenyl)-3-N-(2,6-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966307
3-N-(2-chloro-4,6-dimethylphenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966776
3-N-(2-ethyl-6-methylphenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112964591
3-N-(3,5-dimethylphenyl)-5-N-(2-ethyl-6-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963563

Frequently Asked Questions

What is the IUPAC name of 5-N-(3,5-dichlorophenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(3,5-dichlorophenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine (CID 112963797) is 5-N-(3,5-dichlorophenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(3,5-dichlorophenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(3,5-dichlorophenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine is Cc1cccc(C)c1Nc1nncc(Nc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 5-N-(3,5-dichlorophenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is HOVXEGYUTXDWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5/c1-10-4-3-5-11(2)16(10)23-17-22-15(9-20-24-17)21-14-7-12(18)6-13(19)8-14/h3-9H,1-2H3,(H2,21,22,23,24).
What are the key properties of 5-N-(3,5-dichlorophenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine?
5-N-(3,5-dichlorophenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 360.25 g/mol, XLogP of 5.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,5-dichlorophenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112963797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).