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

C16H13Cl2N5O — CID 112967444

IUPAC5-N-(2,6-dichlorophenyl)-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine
SMILESCOc1ccc(Nc2nncc(Nc3c(Cl)cccc3Cl)n2)cc1
InChIInChI=1S/C16H13Cl2N5O/c1-24-11-7-5-10(6-8-11)20-16-22-14(9-19-23-16)21-15-12(17)3-2-4-13(15)18/h2-9H,1H3,(H2,20,21,22,23)
InChIKeyUKCNPDYMXYGCIX-UHFFFAOYSA-N
MW362.22 g/mol
LogP4.67
Rot. Bonds5

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

5-N-(2,6-dichlorophenyl)-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112967444) has the molecular formula C16H13Cl2N5O and a molecular weight of 362.22 g/mol. Its IUPAC name is 5-N-(2,6-dichlorophenyl)-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,6-dichlorophenyl)-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112967444
Molecular FormulaC16H13Cl2N5O
Molecular Weight362.22 g/mol
Exact Mass361.05
IUPAC Name5-N-(2,6-dichlorophenyl)-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine
SMILESCOc1ccc(Nc2nncc(Nc3c(Cl)cccc3Cl)n2)cc1
InChIInChI=1S/C16H13Cl2N5O/c1-24-11-7-5-10(6-8-11)20-16-22-14(9-19-23-16)21-15-12(17)3-2-4-13(15)18/h2-9H,1H3,(H2,20,21,22,23)
InChIKeyUKCNPDYMXYGCIX-UHFFFAOYSA-N
XLogP4.67
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(3-chloro-4-methoxyphenyl)-5-N-(2,6-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966875
3-N-(4-methoxyphenyl)-5-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967421
5-N-(2,3-dimethylphenyl)-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112963838
3-N-(3-methoxyphenyl)-5-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967266
3-N-(2-chloro-4,6-dimethylphenyl)-5-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112966757
5-N-(5-chloro-2-methylphenyl)-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112966270
3-N-(4-methoxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112967432
N-[3-[[5-(4-methoxyanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112967341
3-N-(4-ethoxyphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967197
4-N-(2,6-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 112866265
3-N-(4-methoxyphenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
CID 112967457
3-N-(4-chlorophenyl)-5-N-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112951097

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,6-dichlorophenyl)-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(2,6-dichlorophenyl)-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine (CID 112967444) is 5-N-(2,6-dichlorophenyl)-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(2,6-dichlorophenyl)-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(2,6-dichlorophenyl)-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine is COc1ccc(Nc2nncc(Nc3c(Cl)cccc3Cl)n2)cc1.
What is the InChIKey of 5-N-(2,6-dichlorophenyl)-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is UKCNPDYMXYGCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5O/c1-24-11-7-5-10(6-8-11)20-16-22-14(9-19-23-16)21-15-12(17)3-2-4-13(15)18/h2-9H,1H3,(H2,20,21,22,23).
What are the key properties of 5-N-(2,6-dichlorophenyl)-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine?
5-N-(2,6-dichlorophenyl)-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 362.22 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,6-dichlorophenyl)-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112967444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).