2-(dichloromethoxy)-1,3,5-triazine

C4H3Cl2N3O — CID 22293977

IUPAC2-(dichloromethoxy)-1,3,5-triazine
SMILESClC(Cl)Oc1ncncn1
InChIInChI=1S/C4H3Cl2N3O/c5-3(6)10-4-8-1-7-2-9-4/h1-3H
InChIKeyQPUFTVREPJUTPL-UHFFFAOYSA-N
MW179.99 g/mol
LogP1.01
Rot. Bonds2

About 2-(dichloromethoxy)-1,3,5-triazine

2-(dichloromethoxy)-1,3,5-triazine (PubChem CID 22293977) has the molecular formula C4H3Cl2N3O and a molecular weight of 179.99 g/mol. Its IUPAC name is 2-(dichloromethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-(dichloromethoxy)-1,3,5-triazine
PubChem CID22293977
Molecular FormulaC4H3Cl2N3O
Molecular Weight179.99 g/mol
Exact Mass178.97
IUPAC Name2-(dichloromethoxy)-1,3,5-triazine
SMILESClC(Cl)Oc1ncncn1
InChIInChI=1S/C4H3Cl2N3O/c5-3(6)10-4-8-1-7-2-9-4/h1-3H
InChIKeyQPUFTVREPJUTPL-UHFFFAOYSA-N
XLogP1.01
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.99
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Chloromethoxy-s-triazine
CID 53854570
2-Fluoro-4-(trichloromethoxy)-1,3,5-triazine
CID 19104341
2-Chloro-4-methoxy-1,3,5-triazine
CID 17959654
2-(Trichloromethoxy)-1,3,5-triazine
CID 19006217
2-Chloro-4-(trichloromethoxy)-1,3,5-triazine
CID 19104350
2,4-Bis(trichloromethoxy)-1,3,5-triazine
CID 19104357
2,4-Bis(chloromethoxy)-1,3,5-triazine
CID 67807080
2-(Chloromethoxy)-4-methoxy-1,3,5-triazine
CID 153328314
Chloroform;1,3,5-triazine
CID 160130266
2-Chloro-4-(methoxy-d3)-1,3,5-triazine-6-d
CID 172400956

Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethoxy)-1,3,5-triazine?
The IUPAC name of 2-(dichloromethoxy)-1,3,5-triazine (CID 22293977) is 2-(dichloromethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-(dichloromethoxy)-1,3,5-triazine?
The canonical SMILES for 2-(dichloromethoxy)-1,3,5-triazine is ClC(Cl)Oc1ncncn1.
What is the InChIKey of 2-(dichloromethoxy)-1,3,5-triazine?
The InChIKey is QPUFTVREPJUTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Cl2N3O/c5-3(6)10-4-8-1-7-2-9-4/h1-3H.
What are the key properties of 2-(dichloromethoxy)-1,3,5-triazine?
2-(dichloromethoxy)-1,3,5-triazine has a molecular weight of 179.99 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethoxy)-1,3,5-triazine is sourced from PubChem (CID 22293977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).