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

C17H15Cl2N5 — CID 112949519

IUPAC3-N-benzyl-5-N-(2,4-dichlorophenyl)-3-N-methyl-1,2,4-triazine-3,5-diamine
SMILESCN(Cc1ccccc1)c1nncc(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C17H15Cl2N5/c1-24(11-12-5-3-2-4-6-12)17-22-16(10-20-23-17)21-15-8-7-13(18)9-14(15)19/h2-10H,11H2,1H3,(H,21,22,23)
InChIKeyNLCQUICLKHMQIY-UHFFFAOYSA-N
MW360.25 g/mol
LogP4.56
Rot. Bonds5

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

3-N-benzyl-5-N-(2,4-dichlorophenyl)-3-N-methyl-1,2,4-triazine-3,5-diamine (PubChem CID 112949519) has the molecular formula C17H15Cl2N5 and a molecular weight of 360.25 g/mol. Its IUPAC name is 3-N-benzyl-5-N-(2,4-dichlorophenyl)-3-N-methyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-benzyl-5-N-(2,4-dichlorophenyl)-3-N-methyl-1,2,4-triazine-3,5-diamine
PubChem CID112949519
Molecular FormulaC17H15Cl2N5
Molecular Weight360.25 g/mol
Exact Mass359.07
IUPAC Name3-N-benzyl-5-N-(2,4-dichlorophenyl)-3-N-methyl-1,2,4-triazine-3,5-diamine
SMILESCN(Cc1ccccc1)c1nncc(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C17H15Cl2N5/c1-24(11-12-5-3-2-4-6-12)17-22-16(10-20-23-17)21-15-8-7-13(18)9-14(15)19/h2-10H,11H2,1H3,(H,21,22,23)
InChIKeyNLCQUICLKHMQIY-UHFFFAOYSA-N
XLogP4.56
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-benzyl-5-N-(4-methoxyphenyl)-3-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949471
3-N-benzyl-5-N-tert-butyl-3-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949416
5-N-(2,4-dichlorophenyl)-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964133
5-N-benzyl-3-N-(4-chloro-2-methylphenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949296
3-N-(2,4-dichlorophenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112961614
2-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyrimidine-4-carboxamide
CID 109305094
3-N-[(4-chlorophenyl)methyl]-5-N-(2,4-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112950719
3-N-benzyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949376
3-N-(2,4-dichlorophenyl)-5-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967110
2-N-benzyl-4-N-(3,5-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 112891064
N-benzyl-5-(2,4-dichloroanilino)-N-methylpyridine-2-carboxamide
CID 109189200
3-N-benzyl-5-N-[2-(4-methoxyphenyl)ethyl]-3-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949388

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-5-N-(2,4-dichlorophenyl)-3-N-methyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-benzyl-5-N-(2,4-dichlorophenyl)-3-N-methyl-1,2,4-triazine-3,5-diamine (CID 112949519) is 3-N-benzyl-5-N-(2,4-dichlorophenyl)-3-N-methyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-benzyl-5-N-(2,4-dichlorophenyl)-3-N-methyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-benzyl-5-N-(2,4-dichlorophenyl)-3-N-methyl-1,2,4-triazine-3,5-diamine is CN(Cc1ccccc1)c1nncc(Nc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 3-N-benzyl-5-N-(2,4-dichlorophenyl)-3-N-methyl-1,2,4-triazine-3,5-diamine?
The InChIKey is NLCQUICLKHMQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5/c1-24(11-12-5-3-2-4-6-12)17-22-16(10-20-23-17)21-15-8-7-13(18)9-14(15)19/h2-10H,11H2,1H3,(H,21,22,23).
What are the key properties of 3-N-benzyl-5-N-(2,4-dichlorophenyl)-3-N-methyl-1,2,4-triazine-3,5-diamine?
3-N-benzyl-5-N-(2,4-dichlorophenyl)-3-N-methyl-1,2,4-triazine-3,5-diamine has a molecular weight of 360.25 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-5-N-(2,4-dichlorophenyl)-3-N-methyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112949519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).