4-chloro-6-(2,4-dichlorophenoxy)-1,3,5-triazin-2-amine

C9H5Cl3N4O — CID 19901311

IUPAC4-chloro-6-(2,4-dichlorophenoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(Oc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C9H5Cl3N4O/c10-4-1-2-6(5(11)3-4)17-9-15-7(12)14-8(13)16-9/h1-3H,(H2,13,14,15,16)
InChIKeyCKOLPEOGMMNUTJ-UHFFFAOYSA-N
MW291.53 g/mol
LogP3.21
Rot. Bonds2

About 4-chloro-6-(2,4-dichlorophenoxy)-1,3,5-triazin-2-amine

4-chloro-6-(2,4-dichlorophenoxy)-1,3,5-triazin-2-amine (PubChem CID 19901311) has the molecular formula C9H5Cl3N4O and a molecular weight of 291.53 g/mol. Its IUPAC name is 4-chloro-6-(2,4-dichlorophenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,4-dichlorophenoxy)-1,3,5-triazin-2-amine
PubChem CID19901311
Molecular FormulaC9H5Cl3N4O
Molecular Weight291.53 g/mol
Exact Mass289.95
IUPAC Name4-chloro-6-(2,4-dichlorophenoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(Oc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C9H5Cl3N4O/c10-4-1-2-6(5(11)3-4)17-9-15-7(12)14-8(13)16-9/h1-3H,(H2,13,14,15,16)
InChIKeyCKOLPEOGMMNUTJ-UHFFFAOYSA-N
XLogP3.21
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Phenol, [(4-amino-6-chloro-1,3,5-triazin-2-yl)oxy]-
CID 35010
4,6-Bis(3-chlorophenoxy)-1,3,5-triazin-2-amine
CID 134914192
2,4,6-Tris(4-chlorophenoxy)-1,3,5-triazine
CID 15971
1,3,5-Triazine, 2,4,6-tris(2-chlorophenoxy)-
CID 11733242
2-(2-Chlorophenoxy)-4,6-difluoro-1,3,5-triazine
CID 13449
2,4-Bis(4-chlorophenoxy)-6-fluoro-1,3,5-triazine
CID 53959698
2-Chloro-4-(2,4-dichlorophenoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 54452123
2-(4-Chlorophenoxy)-4,6-difluoro-1,3,5-triazine
CID 70410708
2-Chloro-4-(2,4-dichlorophenoxy)-6-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 88644297
4-(2,6-Dichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 122641810
4-(2,4,6-Trichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 122641818
4-(2-Chlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 122641820

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,4-dichlorophenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2,4-dichlorophenoxy)-1,3,5-triazin-2-amine (CID 19901311) is 4-chloro-6-(2,4-dichlorophenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,4-dichlorophenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2,4-dichlorophenoxy)-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(Oc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 4-chloro-6-(2,4-dichlorophenoxy)-1,3,5-triazin-2-amine?
The InChIKey is CKOLPEOGMMNUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3N4O/c10-4-1-2-6(5(11)3-4)17-9-15-7(12)14-8(13)16-9/h1-3H,(H2,13,14,15,16).
What are the key properties of 4-chloro-6-(2,4-dichlorophenoxy)-1,3,5-triazin-2-amine?
4-chloro-6-(2,4-dichlorophenoxy)-1,3,5-triazin-2-amine has a molecular weight of 291.53 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,4-dichlorophenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 19901311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).