1,3,5-triazin-2-yl 2-(dichloroamino)acetate

C5H4Cl2N4O2 — CID 54360439

IUPAC1,3,5-triazin-2-yl 2-(dichloroamino)acetate
SMILESO=C(CN(Cl)Cl)Oc1ncncn1
InChIInChI=1S/C5H4Cl2N4O2/c6-11(7)1-4(12)13-5-9-2-8-3-10-5/h2-3H,1H2
InChIKeyUMCPMMJXOODZFB-UHFFFAOYSA-N
MW223.02 g/mol
LogP0.39
Rot. Bonds3

About 1,3,5-triazin-2-yl 2-(dichloroamino)acetate

1,3,5-triazin-2-yl 2-(dichloroamino)acetate (PubChem CID 54360439) has the molecular formula C5H4Cl2N4O2 and a molecular weight of 223.02 g/mol. Its IUPAC name is 1,3,5-triazin-2-yl 2-(dichloroamino)acetate.

Molecular Properties

Compound Name1,3,5-triazin-2-yl 2-(dichloroamino)acetate
PubChem CID54360439
Molecular FormulaC5H4Cl2N4O2
Molecular Weight223.02 g/mol
Exact Mass221.97
IUPAC Name1,3,5-triazin-2-yl 2-(dichloroamino)acetate
SMILESO=C(CN(Cl)Cl)Oc1ncncn1
InChIInChI=1S/C5H4Cl2N4O2/c6-11(7)1-4(12)13-5-9-2-8-3-10-5/h2-3H,1H2
InChIKeyUMCPMMJXOODZFB-UHFFFAOYSA-N
XLogP0.39
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.02
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazin-2-yl 2-(dichloroamino)acetate?
The IUPAC name of 1,3,5-triazin-2-yl 2-(dichloroamino)acetate (CID 54360439) is 1,3,5-triazin-2-yl 2-(dichloroamino)acetate.
What is the SMILES notation for 1,3,5-triazin-2-yl 2-(dichloroamino)acetate?
The canonical SMILES for 1,3,5-triazin-2-yl 2-(dichloroamino)acetate is O=C(CN(Cl)Cl)Oc1ncncn1.
What is the InChIKey of 1,3,5-triazin-2-yl 2-(dichloroamino)acetate?
The InChIKey is UMCPMMJXOODZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N4O2/c6-11(7)1-4(12)13-5-9-2-8-3-10-5/h2-3H,1H2.
What are the key properties of 1,3,5-triazin-2-yl 2-(dichloroamino)acetate?
1,3,5-triazin-2-yl 2-(dichloroamino)acetate has a molecular weight of 223.02 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazin-2-yl 2-(dichloroamino)acetate is sourced from PubChem (CID 54360439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).