3,6-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine

C10H4Cl3F3N4 — CID 81037637

IUPAC3,6-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
SMILESFC(F)(F)c1ccc(Nc2nc(Cl)nnc2Cl)c(Cl)c1
InChIInChI=1S/C10H4Cl3F3N4/c11-5-3-4(10(14,15)16)1-2-6(5)17-8-7(12)19-20-9(13)18-8/h1-3H,(H,17,18,20)
InChIKeyFRKJZZWGCYMIHR-UHFFFAOYSA-N
MW343.52 g/mol
LogP4.59
Rot. Bonds2

About 3,6-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine

3,6-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine (PubChem CID 81037637) has the molecular formula C10H4Cl3F3N4 and a molecular weight of 343.52 g/mol. Its IUPAC name is 3,6-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
PubChem CID81037637
Molecular FormulaC10H4Cl3F3N4
Molecular Weight343.52 g/mol
Exact Mass341.95
IUPAC Name3,6-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
SMILESFC(F)(F)c1ccc(Nc2nc(Cl)nnc2Cl)c(Cl)c1
InChIInChI=1S/C10H4Cl3F3N4/c11-5-3-4(10(14,15)16)1-2-6(5)17-8-7(12)19-20-9(13)18-8/h1-3H,(H,17,18,20)
InChIKeyFRKJZZWGCYMIHR-UHFFFAOYSA-N
XLogP4.59
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632211
6-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrimidin-4-amine
CID 63729895
3,6-dichloro-N-(2-chloro-5-fluorophenyl)-1,2,4-triazin-5-amine
CID 107530580
5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-fluoropyridin-2-amine
CID 79727796
3,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazin-5-amine
CID 81035957
3,6-dichloro-N-(2,5-difluorophenyl)-1,2,4-triazin-5-amine
CID 81036472
6-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-methyl-5-prop-2-enylpyrimidin-4-amine
CID 87843307
N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine
CID 54381375
6-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 63962611
2-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine
CID 80833737
5-amino-2-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 63668446
4-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 80834320

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine (CID 81037637) is 3,6-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine is FC(F)(F)c1ccc(Nc2nc(Cl)nnc2Cl)c(Cl)c1.
What is the InChIKey of 3,6-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine?
The InChIKey is FRKJZZWGCYMIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl3F3N4/c11-5-3-4(10(14,15)16)1-2-6(5)17-8-7(12)19-20-9(13)18-8/h1-3H,(H,17,18,20).
What are the key properties of 3,6-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine?
3,6-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine has a molecular weight of 343.52 g/mol, XLogP of 4.59, 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-chloro-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 81037637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).