(4,6-dichloro-1,3,5-triazin-2-yl) propanoate

C6H5Cl2N3O2 — CID 141065562

IUPAC(4,6-dichloro-1,3,5-triazin-2-yl) propanoate
SMILESCCC(=O)Oc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C6H5Cl2N3O2/c1-2-3(12)13-6-10-4(7)9-5(8)11-6/h2H2,1H3
InChIKeyZQWBVZQGVJJIDN-UHFFFAOYSA-N
MW222.03 g/mol
LogP1.49
Rot. Bonds2

About (4,6-dichloro-1,3,5-triazin-2-yl) propanoate

(4,6-dichloro-1,3,5-triazin-2-yl) propanoate (PubChem CID 141065562) has the molecular formula C6H5Cl2N3O2 and a molecular weight of 222.03 g/mol. Its IUPAC name is (4,6-dichloro-1,3,5-triazin-2-yl) propanoate.

Molecular Properties

Compound Name(4,6-dichloro-1,3,5-triazin-2-yl) propanoate
PubChem CID141065562
Molecular FormulaC6H5Cl2N3O2
Molecular Weight222.03 g/mol
Exact Mass220.98
IUPAC Name(4,6-dichloro-1,3,5-triazin-2-yl) propanoate
SMILESCCC(=O)Oc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C6H5Cl2N3O2/c1-2-3(12)13-6-10-4(7)9-5(8)11-6/h2H2,1H3
InChIKeyZQWBVZQGVJJIDN-UHFFFAOYSA-N
XLogP1.49
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.03
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4,6-dichloro-1,3,5-triazin-2-yl) propanoate?
The IUPAC name of (4,6-dichloro-1,3,5-triazin-2-yl) propanoate (CID 141065562) is (4,6-dichloro-1,3,5-triazin-2-yl) propanoate.
What is the SMILES notation for (4,6-dichloro-1,3,5-triazin-2-yl) propanoate?
The canonical SMILES for (4,6-dichloro-1,3,5-triazin-2-yl) propanoate is CCC(=O)Oc1nc(Cl)nc(Cl)n1.
What is the InChIKey of (4,6-dichloro-1,3,5-triazin-2-yl) propanoate?
The InChIKey is ZQWBVZQGVJJIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2N3O2/c1-2-3(12)13-6-10-4(7)9-5(8)11-6/h2H2,1H3.
What are the key properties of (4,6-dichloro-1,3,5-triazin-2-yl) propanoate?
(4,6-dichloro-1,3,5-triazin-2-yl) propanoate has a molecular weight of 222.03 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dichloro-1,3,5-triazin-2-yl) propanoate is sourced from PubChem (CID 141065562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).