N-(2-bromo-3-chlorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine

C9H4BrCl3N4 — CID 103481035

IUPACN-(2-bromo-3-chlorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine
SMILESClc1nnc(Cl)c(Nc2cccc(Cl)c2Br)n1
InChIInChI=1S/C9H4BrCl3N4/c10-6-4(11)2-1-3-5(6)14-8-7(12)16-17-9(13)15-8/h1-3H,(H,14,15,17)
InChIKeyRNSVTXSNPJVYCA-UHFFFAOYSA-N
MW354.42 g/mol
LogP4.34
Rot. Bonds2

About N-(2-bromo-3-chlorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine

N-(2-bromo-3-chlorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine (PubChem CID 103481035) has the molecular formula C9H4BrCl3N4 and a molecular weight of 354.42 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine
PubChem CID103481035
Molecular FormulaC9H4BrCl3N4
Molecular Weight354.42 g/mol
Exact Mass351.87
IUPAC NameN-(2-bromo-3-chlorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine
SMILESClc1nnc(Cl)c(Nc2cccc(Cl)c2Br)n1
InChIInChI=1S/C9H4BrCl3N4/c10-6-4(11)2-1-3-5(6)14-8-7(12)16-17-9(13)15-8/h1-3H,(H,14,15,17)
InChIKeyRNSVTXSNPJVYCA-UHFFFAOYSA-N
XLogP4.34
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-3-chlorophenyl)-4-chlorophthalazin-1-amine
CID 103480989
N-(2-bromo-3-chlorophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine
CID 103480984
3-bromo-N-(2-bromo-3-chlorophenyl)pyridin-2-amine
CID 103481300
N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-8-amine
CID 81035858
3,6-dichloro-N-(2-methylsulfanylphenyl)-1,2,4-triazin-5-amine
CID 107645664
3,6-dichloro-N-(2-chloro-5-fluorophenyl)-1,2,4-triazin-5-amine
CID 107530580
N-(2-bromo-3-chlorophenyl)-2-chloro-6-methylpyrimidin-4-amine
CID 103481040
5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine
CID 79075649
1-N-(2-bromo-3-chlorophenyl)-3-chlorobenzene-1,2-diamine
CID 103477400
5-bromo-N-(2-bromo-3-chlorophenyl)-3-methylpyridin-2-amine
CID 103481305
3,6-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
CID 81037637
3,6-dichloro-N-(2,5-difluorophenyl)-1,2,4-triazin-5-amine
CID 81036472

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine (CID 103481035) is N-(2-bromo-3-chlorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine is Clc1nnc(Cl)c(Nc2cccc(Cl)c2Br)n1.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine?
The InChIKey is RNSVTXSNPJVYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrCl3N4/c10-6-4(11)2-1-3-5(6)14-8-7(12)16-17-9(13)15-8/h1-3H,(H,14,15,17).
What are the key properties of N-(2-bromo-3-chlorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine?
N-(2-bromo-3-chlorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine has a molecular weight of 354.42 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine is sourced from PubChem (CID 103481035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).