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

C9H4Cl2F2N4 — CID 81036472

IUPAC3,6-dichloro-N-(2,5-difluorophenyl)-1,2,4-triazin-5-amine
SMILESFc1ccc(F)c(Nc2nc(Cl)nnc2Cl)c1
InChIInChI=1S/C9H4Cl2F2N4/c10-7-8(15-9(11)17-16-7)14-6-3-4(12)1-2-5(6)13/h1-3H,(H,14,15,17)
InChIKeyIGDTXCCYKDYNTP-UHFFFAOYSA-N
MW277.06 g/mol
LogP3.20
Rot. Bonds2

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

3,6-dichloro-N-(2,5-difluorophenyl)-1,2,4-triazin-5-amine (PubChem CID 81036472) has the molecular formula C9H4Cl2F2N4 and a molecular weight of 277.06 g/mol. Its IUPAC name is 3,6-dichloro-N-(2,5-difluorophenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(2,5-difluorophenyl)-1,2,4-triazin-5-amine
PubChem CID81036472
Molecular FormulaC9H4Cl2F2N4
Molecular Weight277.06 g/mol
Exact Mass275.98
IUPAC Name3,6-dichloro-N-(2,5-difluorophenyl)-1,2,4-triazin-5-amine
SMILESFc1ccc(F)c(Nc2nc(Cl)nnc2Cl)c1
InChIInChI=1S/C9H4Cl2F2N4/c10-7-8(15-9(11)17-16-7)14-6-3-4(12)1-2-5(6)13/h1-3H,(H,14,15,17)
InChIKeyIGDTXCCYKDYNTP-UHFFFAOYSA-N
XLogP3.20
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.06
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-N-(2-chloro-5-fluorophenyl)-1,2,4-triazin-5-amine
CID 107530580
4-chloro-N-(2,5-difluorophenyl)-1,2,5-thiadiazol-3-amine
CID 43808139
6-chloro-N-(2,5-difluorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 63733892
N-(4-bromo-2,6-difluorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine
CID 81037657
6-chloro-2-N-(2,5-difluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80759681
3,6-dichloro-N-(2-methylsulfanylphenyl)-1,2,4-triazin-5-amine
CID 107645664
3,6-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
CID 81037637
N-(4-chlorophenyl)-2,5-difluoroaniline
CID 82536926
N-(2,5-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068132
6-chloro-N-(2,5-difluorophenyl)-3-nitropyridin-2-amine
CID 43330260
4-chloro-N-(2,5-difluorophenyl)-1,3-thiazol-2-amine
CID 83152683
N-(2-bromo-3-chlorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine
CID 103481035

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2,5-difluorophenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-(2,5-difluorophenyl)-1,2,4-triazin-5-amine (CID 81036472) is 3,6-dichloro-N-(2,5-difluorophenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-(2,5-difluorophenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-(2,5-difluorophenyl)-1,2,4-triazin-5-amine is Fc1ccc(F)c(Nc2nc(Cl)nnc2Cl)c1.
What is the InChIKey of 3,6-dichloro-N-(2,5-difluorophenyl)-1,2,4-triazin-5-amine?
The InChIKey is IGDTXCCYKDYNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2F2N4/c10-7-8(15-9(11)17-16-7)14-6-3-4(12)1-2-5(6)13/h1-3H,(H,14,15,17).
What are the key properties of 3,6-dichloro-N-(2,5-difluorophenyl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-(2,5-difluorophenyl)-1,2,4-triazin-5-amine has a molecular weight of 277.06 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2,5-difluorophenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 81036472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).