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

C15H10Cl3N5 — CID 112965905

IUPAC5-N-(3-chlorophenyl)-3-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
SMILESClc1cccc(Nc2cnnc(Nc3cc(Cl)ccc3Cl)n2)c1
InChIInChI=1S/C15H10Cl3N5/c16-9-2-1-3-11(6-9)20-14-8-19-23-15(22-14)21-13-7-10(17)4-5-12(13)18/h1-8H,(H2,20,21,22,23)
InChIKeyCOMLAUYSLSVCBU-UHFFFAOYSA-N
MW366.64 g/mol
LogP5.32
Rot. Bonds4

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

5-N-(3-chlorophenyl)-3-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112965905) has the molecular formula C15H10Cl3N5 and a molecular weight of 366.64 g/mol. Its IUPAC name is 5-N-(3-chlorophenyl)-3-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-chlorophenyl)-3-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112965905
Molecular FormulaC15H10Cl3N5
Molecular Weight366.64 g/mol
Exact Mass365.00
IUPAC Name5-N-(3-chlorophenyl)-3-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
SMILESClc1cccc(Nc2cnnc(Nc3cc(Cl)ccc3Cl)n2)c1
InChIInChI=1S/C15H10Cl3N5/c16-9-2-1-3-11(6-9)20-14-8-19-23-15(22-14)21-13-7-10(17)4-5-12(13)18/h1-8H,(H2,20,21,22,23)
InChIKeyCOMLAUYSLSVCBU-UHFFFAOYSA-N
XLogP5.32
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.64
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(3-chlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965455
methyl 3-[[3-(2,5-dichloroanilino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112968679
3-N-(3-chloro-4-fluorophenyl)-5-N-(3-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965852
3-N-(2,5-dichlorophenyl)-5-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969569
3-N-(3-chlorophenyl)-5-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965993
3-N-(3-chlorophenyl)-5-N-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965982
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-(5-chloro-2-methylphenyl)-5-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966363
3-N-(2,4-dichlorophenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112961614
3-N-(3-chlorophenyl)-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963487
5-N-(2,5-dichlorophenyl)-3-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963627

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-chlorophenyl)-3-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(3-chlorophenyl)-3-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine (CID 112965905) is 5-N-(3-chlorophenyl)-3-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(3-chlorophenyl)-3-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(3-chlorophenyl)-3-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine is Clc1cccc(Nc2cnnc(Nc3cc(Cl)ccc3Cl)n2)c1.
What is the InChIKey of 5-N-(3-chlorophenyl)-3-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is COMLAUYSLSVCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3N5/c16-9-2-1-3-11(6-9)20-14-8-19-23-15(22-14)21-13-7-10(17)4-5-12(13)18/h1-8H,(H2,20,21,22,23).
What are the key properties of 5-N-(3-chlorophenyl)-3-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine?
5-N-(3-chlorophenyl)-3-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 366.64 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-chlorophenyl)-3-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112965905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).