2-chloro-4-(4-chloro-3-methoxyphenyl)-6-propoxy-1,3,5-triazine

C13H13Cl2N3O2 — CID 79710966

IUPAC2-chloro-4-(4-chloro-3-methoxyphenyl)-6-propoxy-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(-c2ccc(Cl)c(OC)c2)n1
InChIInChI=1S/C13H13Cl2N3O2/c1-3-6-20-13-17-11(16-12(15)18-13)8-4-5-9(14)10(7-8)19-2/h4-5,7H,3,6H2,1-2H3
InChIKeyDSDJDWGTILKROB-UHFFFAOYSA-N
MW314.17 g/mol
LogP3.64
Rot. Bonds5

About 2-chloro-4-(4-chloro-3-methoxyphenyl)-6-propoxy-1,3,5-triazine

2-chloro-4-(4-chloro-3-methoxyphenyl)-6-propoxy-1,3,5-triazine (PubChem CID 79710966) has the molecular formula C13H13Cl2N3O2 and a molecular weight of 314.17 g/mol. Its IUPAC name is 2-chloro-4-(4-chloro-3-methoxyphenyl)-6-propoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(4-chloro-3-methoxyphenyl)-6-propoxy-1,3,5-triazine
PubChem CID79710966
Molecular FormulaC13H13Cl2N3O2
Molecular Weight314.17 g/mol
Exact Mass313.04
IUPAC Name2-chloro-4-(4-chloro-3-methoxyphenyl)-6-propoxy-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(-c2ccc(Cl)c(OC)c2)n1
InChIInChI=1S/C13H13Cl2N3O2/c1-3-6-20-13-17-11(16-12(15)18-13)8-4-5-9(14)10(7-8)19-2/h4-5,7H,3,6H2,1-2H3
InChIKeyDSDJDWGTILKROB-UHFFFAOYSA-N
XLogP3.64
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-chloro-3-methoxyphenyl)-6-propoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(4-chloro-3-methoxyphenyl)-6-propoxy-1,3,5-triazine (CID 79710966) is 2-chloro-4-(4-chloro-3-methoxyphenyl)-6-propoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(4-chloro-3-methoxyphenyl)-6-propoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(4-chloro-3-methoxyphenyl)-6-propoxy-1,3,5-triazine is CCCOc1nc(Cl)nc(-c2ccc(Cl)c(OC)c2)n1.
What is the InChIKey of 2-chloro-4-(4-chloro-3-methoxyphenyl)-6-propoxy-1,3,5-triazine?
The InChIKey is DSDJDWGTILKROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2/c1-3-6-20-13-17-11(16-12(15)18-13)8-4-5-9(14)10(7-8)19-2/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 2-chloro-4-(4-chloro-3-methoxyphenyl)-6-propoxy-1,3,5-triazine?
2-chloro-4-(4-chloro-3-methoxyphenyl)-6-propoxy-1,3,5-triazine has a molecular weight of 314.17 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-chloro-3-methoxyphenyl)-6-propoxy-1,3,5-triazine is sourced from PubChem (CID 79710966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).