4-(chloromethoxy)triazine

C4H4ClN3O — CID 18934300

IUPAC4-(chloromethoxy)triazine
SMILESClCOc1ccnnn1
InChIInChI=1S/C4H4ClN3O/c5-3-9-4-1-2-6-8-7-4/h1-2H,3H2
InChIKeyOXTWVUPVFQGOTI-UHFFFAOYSA-N
MW145.55 g/mol
LogP0.45
Rot. Bonds2

About 4-(chloromethoxy)triazine

4-(chloromethoxy)triazine (PubChem CID 18934300) has the molecular formula C4H4ClN3O and a molecular weight of 145.55 g/mol. Its IUPAC name is 4-(chloromethoxy)triazine.

Molecular Properties

Compound Name4-(chloromethoxy)triazine
PubChem CID18934300
Molecular FormulaC4H4ClN3O
Molecular Weight145.55 g/mol
Exact Mass145.00
IUPAC Name4-(chloromethoxy)triazine
SMILESClCOc1ccnnn1
InChIInChI=1S/C4H4ClN3O/c5-3-9-4-1-2-6-8-7-4/h1-2H,3H2
InChIKeyOXTWVUPVFQGOTI-UHFFFAOYSA-N
XLogP0.45
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.55
LogP ≤ 50.45
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-(chloromethoxy)triazine?
The IUPAC name of 4-(chloromethoxy)triazine (CID 18934300) is 4-(chloromethoxy)triazine.
What is the SMILES notation for 4-(chloromethoxy)triazine?
The canonical SMILES for 4-(chloromethoxy)triazine is ClCOc1ccnnn1.
What is the InChIKey of 4-(chloromethoxy)triazine?
The InChIKey is OXTWVUPVFQGOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClN3O/c5-3-9-4-1-2-6-8-7-4/h1-2H,3H2.
What are the key properties of 4-(chloromethoxy)triazine?
4-(chloromethoxy)triazine has a molecular weight of 145.55 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethoxy)triazine is sourced from PubChem (CID 18934300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).