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

C9H3BrCl2F2N4 — CID 81037657

IUPACN-(4-bromo-2,6-difluorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine
SMILESFc1cc(Br)cc(F)c1Nc1nc(Cl)nnc1Cl
InChIInChI=1S/C9H3BrCl2F2N4/c10-3-1-4(13)6(5(14)2-3)15-8-7(11)17-18-9(12)16-8/h1-2H,(H,15,16,18)
InChIKeyPACZELSORWDAFL-UHFFFAOYSA-N
MW355.96 g/mol
LogP3.96
Rot. Bonds2

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

N-(4-bromo-2,6-difluorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine (PubChem CID 81037657) has the molecular formula C9H3BrCl2F2N4 and a molecular weight of 355.96 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine
PubChem CID81037657
Molecular FormulaC9H3BrCl2F2N4
Molecular Weight355.96 g/mol
Exact Mass353.89
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine
SMILESFc1cc(Br)cc(F)c1Nc1nc(Cl)nnc1Cl
InChIInChI=1S/C9H3BrCl2F2N4/c10-3-1-4(13)6(5(14)2-3)15-8-7(11)17-18-9(12)16-8/h1-2H,(H,15,16,18)
InChIKeyPACZELSORWDAFL-UHFFFAOYSA-N
XLogP3.96
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.96
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-N-(2,5-difluorophenyl)-1,2,4-triazin-5-amine
CID 81036472
3,6-dichloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine
CID 81035859
3,6-dichloro-N-(2-chloro-5-fluorophenyl)-1,2,4-triazin-5-amine
CID 107530580
4-N-(4-bromo-2,6-difluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80846756
N-(2-bromo-3-chlorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine
CID 103481035
3-N-(4-bromo-2,6-difluorophenyl)quinoxaline-2,3-diamine
CID 102986610
N-(4-bromo-2,6-difluorophenyl)-2-chloropyridin-4-amine
CID 102824263
3-[4-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-3,5-dimethylphenyl]prop-2-enenitrile
CID 76559990
3,6-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
CID 81037637
2-chloro-N-(2-chloro-4,6-difluorophenyl)-5-fluoropyrimidin-4-amine
CID 83087621
N-(4-bromo-2,6-dimethylphenyl)-2,5-dichloropyrimidin-4-amine
CID 79632109
3,6-dichloro-N-(2-methylsulfanylphenyl)-1,2,4-triazin-5-amine
CID 107645664

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine (CID 81037657) is N-(4-bromo-2,6-difluorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine is Fc1cc(Br)cc(F)c1Nc1nc(Cl)nnc1Cl.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine?
The InChIKey is PACZELSORWDAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrCl2F2N4/c10-3-1-4(13)6(5(14)2-3)15-8-7(11)17-18-9(12)16-8/h1-2H,(H,15,16,18).
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine?
N-(4-bromo-2,6-difluorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine has a molecular weight of 355.96 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine is sourced from PubChem (CID 81037657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).