4-(dichloromethoxy)triazine

C4H3Cl2N3O — CID 19963552

IUPAC4-(dichloromethoxy)triazine
SMILESClC(Cl)Oc1ccnnn1
InChIInChI=1S/C4H3Cl2N3O/c5-4(6)10-3-1-2-7-9-8-3/h1-2,4H
InChIKeyWZDQINQXHFWVDY-UHFFFAOYSA-N
MW179.99 g/mol
LogP1.01
Rot. Bonds2

About 4-(dichloromethoxy)triazine

4-(dichloromethoxy)triazine (PubChem CID 19963552) has the molecular formula C4H3Cl2N3O and a molecular weight of 179.99 g/mol. Its IUPAC name is 4-(dichloromethoxy)triazine.

Molecular Properties

Compound Name4-(dichloromethoxy)triazine
PubChem CID19963552
Molecular FormulaC4H3Cl2N3O
Molecular Weight179.99 g/mol
Exact Mass178.97
IUPAC Name4-(dichloromethoxy)triazine
SMILESClC(Cl)Oc1ccnnn1
InChIInChI=1S/C4H3Cl2N3O/c5-4(6)10-3-1-2-7-9-8-3/h1-2,4H
InChIKeyWZDQINQXHFWVDY-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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Frequently Asked Questions

What is the IUPAC name of 4-(dichloromethoxy)triazine?
The IUPAC name of 4-(dichloromethoxy)triazine (CID 19963552) is 4-(dichloromethoxy)triazine.
What is the SMILES notation for 4-(dichloromethoxy)triazine?
The canonical SMILES for 4-(dichloromethoxy)triazine is ClC(Cl)Oc1ccnnn1.
What is the InChIKey of 4-(dichloromethoxy)triazine?
The InChIKey is WZDQINQXHFWVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Cl2N3O/c5-4(6)10-3-1-2-7-9-8-3/h1-2,4H.
What are the key properties of 4-(dichloromethoxy)triazine?
4-(dichloromethoxy)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 4-(dichloromethoxy)triazine is sourced from PubChem (CID 19963552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).