4,6-bis(3-chlorophenoxy)-1,3,5-triazin-2-amine

C15H10Cl2N4O2 — CID 134914192

IUPAC4,6-bis(3-chlorophenoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(Oc2cccc(Cl)c2)nc(Oc2cccc(Cl)c2)n1
InChIInChI=1S/C15H10Cl2N4O2/c16-9-3-1-5-11(7-9)22-14-19-13(18)20-15(21-14)23-12-6-2-4-10(17)8-12/h1-8H,(H2,18,19,20,21)
InChIKeyAYAFCRKEUJKJPO-UHFFFAOYSA-N
MW349.18 g/mol
LogP4.35
Rot. Bonds4

About 4,6-bis(3-chlorophenoxy)-1,3,5-triazin-2-amine

4,6-bis(3-chlorophenoxy)-1,3,5-triazin-2-amine (PubChem CID 134914192) has the molecular formula C15H10Cl2N4O2 and a molecular weight of 349.18 g/mol. Its IUPAC name is 4,6-bis(3-chlorophenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis(3-chlorophenoxy)-1,3,5-triazin-2-amine
PubChem CID134914192
Molecular FormulaC15H10Cl2N4O2
Molecular Weight349.18 g/mol
Exact Mass348.02
IUPAC Name4,6-bis(3-chlorophenoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(Oc2cccc(Cl)c2)nc(Oc2cccc(Cl)c2)n1
InChIInChI=1S/C15H10Cl2N4O2/c16-9-3-1-5-11(7-9)22-14-19-13(18)20-15(21-14)23-12-6-2-4-10(17)8-12/h1-8H,(H2,18,19,20,21)
InChIKeyAYAFCRKEUJKJPO-UHFFFAOYSA-N
XLogP4.35
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(3-chlorophenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis(3-chlorophenoxy)-1,3,5-triazin-2-amine (CID 134914192) is 4,6-bis(3-chlorophenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis(3-chlorophenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis(3-chlorophenoxy)-1,3,5-triazin-2-amine is Nc1nc(Oc2cccc(Cl)c2)nc(Oc2cccc(Cl)c2)n1.
What is the InChIKey of 4,6-bis(3-chlorophenoxy)-1,3,5-triazin-2-amine?
The InChIKey is AYAFCRKEUJKJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4O2/c16-9-3-1-5-11(7-9)22-14-19-13(18)20-15(21-14)23-12-6-2-4-10(17)8-12/h1-8H,(H2,18,19,20,21).
What are the key properties of 4,6-bis(3-chlorophenoxy)-1,3,5-triazin-2-amine?
4,6-bis(3-chlorophenoxy)-1,3,5-triazin-2-amine has a molecular weight of 349.18 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(3-chlorophenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 134914192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).