(4-chloro-6-methoxy-1,3,5-triazin-2-yl) hypochlorite;ethane

C6H9Cl2N3O2 — CID 142977924

IUPAC(4-chloro-6-methoxy-1,3,5-triazin-2-yl) hypochlorite;ethane
SMILESCC.COc1nc(Cl)nc(OCl)n1
InChIInChI=1S/C4H3Cl2N3O2.C2H6/c1-10-3-7-2(5)8-4(9-3)11-6;1-2/h1H3;1-2H3
InChIKeyYFQHAOHPXHBORN-UHFFFAOYSA-N
MW226.06 g/mol
LogP2.09
Rot. Bonds2

About (4-chloro-6-methoxy-1,3,5-triazin-2-yl) hypochlorite;ethane

(4-chloro-6-methoxy-1,3,5-triazin-2-yl) hypochlorite;ethane (PubChem CID 142977924) has the molecular formula C6H9Cl2N3O2 and a molecular weight of 226.06 g/mol. Its IUPAC name is (4-chloro-6-methoxy-1,3,5-triazin-2-yl) hypochlorite;ethane.

Molecular Properties

Compound Name(4-chloro-6-methoxy-1,3,5-triazin-2-yl) hypochlorite;ethane
PubChem CID142977924
Molecular FormulaC6H9Cl2N3O2
Molecular Weight226.06 g/mol
Exact Mass225.01
IUPAC Name(4-chloro-6-methoxy-1,3,5-triazin-2-yl) hypochlorite;ethane
SMILESCC.COc1nc(Cl)nc(OCl)n1
InChIInChI=1S/C4H3Cl2N3O2.C2H6/c1-10-3-7-2(5)8-4(9-3)11-6;1-2/h1H3;1-2H3
InChIKeyYFQHAOHPXHBORN-UHFFFAOYSA-N
XLogP2.09
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.06
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-chloro-6-methoxy-1,3,5-triazin-2-yl) hypochlorite;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-chloro-6-methoxy-1,3,5-triazin-2-yl) hypochlorite;ethane?
The IUPAC name of (4-chloro-6-methoxy-1,3,5-triazin-2-yl) hypochlorite;ethane (CID 142977924) is (4-chloro-6-methoxy-1,3,5-triazin-2-yl) hypochlorite;ethane.
What is the SMILES notation for (4-chloro-6-methoxy-1,3,5-triazin-2-yl) hypochlorite;ethane?
The canonical SMILES for (4-chloro-6-methoxy-1,3,5-triazin-2-yl) hypochlorite;ethane is CC.COc1nc(Cl)nc(OCl)n1.
What is the InChIKey of (4-chloro-6-methoxy-1,3,5-triazin-2-yl) hypochlorite;ethane?
The InChIKey is YFQHAOHPXHBORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Cl2N3O2.C2H6/c1-10-3-7-2(5)8-4(9-3)11-6;1-2/h1H3;1-2H3.
What are the key properties of (4-chloro-6-methoxy-1,3,5-triazin-2-yl) hypochlorite;ethane?
(4-chloro-6-methoxy-1,3,5-triazin-2-yl) hypochlorite;ethane has a molecular weight of 226.06 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6-methoxy-1,3,5-triazin-2-yl) hypochlorite;ethane is sourced from PubChem (CID 142977924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).