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

C16H12Cl3N5 — CID 112966307

IUPAC5-N-(5-chloro-2-methylphenyl)-3-N-(2,6-dichlorophenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1ccc(Cl)cc1Nc1cnnc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C16H12Cl3N5/c1-9-5-6-10(17)7-13(9)21-14-8-20-24-16(22-14)23-15-11(18)3-2-4-12(15)19/h2-8H,1H3,(H2,21,22,23,24)
InChIKeyROJDILKQAASLMQ-UHFFFAOYSA-N
MW380.67 g/mol
LogP5.63
Rot. Bonds4

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

5-N-(5-chloro-2-methylphenyl)-3-N-(2,6-dichlorophenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112966307) has the molecular formula C16H12Cl3N5 and a molecular weight of 380.67 g/mol. Its IUPAC name is 5-N-(5-chloro-2-methylphenyl)-3-N-(2,6-dichlorophenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(5-chloro-2-methylphenyl)-3-N-(2,6-dichlorophenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112966307
Molecular FormulaC16H12Cl3N5
Molecular Weight380.67 g/mol
Exact Mass379.02
IUPAC Name5-N-(5-chloro-2-methylphenyl)-3-N-(2,6-dichlorophenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1ccc(Cl)cc1Nc1cnnc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C16H12Cl3N5/c1-9-5-6-10(17)7-13(9)21-14-8-20-24-16(22-14)23-15-11(18)3-2-4-12(15)19/h2-8H,1H3,(H2,21,22,23,24)
InChIKeyROJDILKQAASLMQ-UHFFFAOYSA-N
XLogP5.63
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.67
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-(5-chloro-2-methylphenyl)-3-N-(2,6-dichlorophenyl)-1,2,4-triazine-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-(5-chloro-2-methylphenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963744
3-N-(5-chloro-2-methylphenyl)-5-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966363
3-N-(5-chloro-2-methylphenyl)-5-N-(2,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963144
3-N-(5-chloro-2-methylphenyl)-5-N-(4-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965997
5-N-(5-chloro-2-methoxyphenyl)-3-N-(5-chloro-2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112966324
5-N-(5-chloro-2-methylphenyl)-3-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963575
3-N-(5-chloro-2-methylphenyl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964619
5-N-(4-chloro-2-methylphenyl)-3-N-(2,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963232
3-N-tert-butyl-5-N-(5-chloro-2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112959054
3-N-(5-chloro-2-methylphenyl)-5-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112966338
5-N-(5-chloro-2-methylphenyl)-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112966270
5-N-(5-chloro-2-methylphenyl)-3-N-[2-(3-chlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112961145

Frequently Asked Questions

What is the IUPAC name of 5-N-(5-chloro-2-methylphenyl)-3-N-(2,6-dichlorophenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(5-chloro-2-methylphenyl)-3-N-(2,6-dichlorophenyl)-1,2,4-triazine-3,5-diamine (CID 112966307) is 5-N-(5-chloro-2-methylphenyl)-3-N-(2,6-dichlorophenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(5-chloro-2-methylphenyl)-3-N-(2,6-dichlorophenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(5-chloro-2-methylphenyl)-3-N-(2,6-dichlorophenyl)-1,2,4-triazine-3,5-diamine is Cc1ccc(Cl)cc1Nc1cnnc(Nc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 5-N-(5-chloro-2-methylphenyl)-3-N-(2,6-dichlorophenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is ROJDILKQAASLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3N5/c1-9-5-6-10(17)7-13(9)21-14-8-20-24-16(22-14)23-15-11(18)3-2-4-12(15)19/h2-8H,1H3,(H2,21,22,23,24).
What are the key properties of 5-N-(5-chloro-2-methylphenyl)-3-N-(2,6-dichlorophenyl)-1,2,4-triazine-3,5-diamine?
5-N-(5-chloro-2-methylphenyl)-3-N-(2,6-dichlorophenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 380.67 g/mol, XLogP of 5.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(5-chloro-2-methylphenyl)-3-N-(2,6-dichlorophenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112966307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).