2-(chloromethoxy)-4-methoxy-1,3,5-triazine

C5H6ClN3O2 — CID 153328314

IUPAC2-(chloromethoxy)-4-methoxy-1,3,5-triazine
SMILESCOc1ncnc(OCCl)n1
InChIInChI=1S/C5H6ClN3O2/c1-10-4-7-3-8-5(9-4)11-2-6/h3H,2H2,1H3
InChIKeyJONAXIHQEAPOTR-UHFFFAOYSA-N
MW175.58 g/mol
LogP0.46
Rot. Bonds3

About 2-(chloromethoxy)-4-methoxy-1,3,5-triazine

2-(chloromethoxy)-4-methoxy-1,3,5-triazine (PubChem CID 153328314) has the molecular formula C5H6ClN3O2 and a molecular weight of 175.58 g/mol. Its IUPAC name is 2-(chloromethoxy)-4-methoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-(chloromethoxy)-4-methoxy-1,3,5-triazine
PubChem CID153328314
Molecular FormulaC5H6ClN3O2
Molecular Weight175.58 g/mol
Exact Mass175.01
IUPAC Name2-(chloromethoxy)-4-methoxy-1,3,5-triazine
SMILESCOc1ncnc(OCCl)n1
InChIInChI=1S/C5H6ClN3O2/c1-10-4-7-3-8-5(9-4)11-2-6/h3H,2H2,1H3
InChIKeyJONAXIHQEAPOTR-UHFFFAOYSA-N
XLogP0.46
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.58
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethoxy)-4-methoxy-1,3,5-triazine?
The IUPAC name of 2-(chloromethoxy)-4-methoxy-1,3,5-triazine (CID 153328314) is 2-(chloromethoxy)-4-methoxy-1,3,5-triazine.
What is the SMILES notation for 2-(chloromethoxy)-4-methoxy-1,3,5-triazine?
The canonical SMILES for 2-(chloromethoxy)-4-methoxy-1,3,5-triazine is COc1ncnc(OCCl)n1.
What is the InChIKey of 2-(chloromethoxy)-4-methoxy-1,3,5-triazine?
The InChIKey is JONAXIHQEAPOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3O2/c1-10-4-7-3-8-5(9-4)11-2-6/h3H,2H2,1H3.
What are the key properties of 2-(chloromethoxy)-4-methoxy-1,3,5-triazine?
2-(chloromethoxy)-4-methoxy-1,3,5-triazine has a molecular weight of 175.58 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethoxy)-4-methoxy-1,3,5-triazine is sourced from PubChem (CID 153328314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).