4-phenoxytriazine

C9H7N3O — CID 21200186

IUPAC4-phenoxytriazine
SMILESc1ccc(Oc2ccnnn2)cc1
InChIInChI=1S/C9H7N3O/c1-2-4-8(5-3-1)13-9-6-7-10-12-11-9/h1-7H
InChIKeyYAMHDNBUUSFGGQ-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.66
Rot. Bonds2

About 4-phenoxytriazine

4-phenoxytriazine (PubChem CID 21200186) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 4-phenoxytriazine.

Molecular Properties

Compound Name4-phenoxytriazine
PubChem CID21200186
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name4-phenoxytriazine
SMILESc1ccc(Oc2ccnnn2)cc1
InChIInChI=1S/C9H7N3O/c1-2-4-8(5-3-1)13-9-6-7-10-12-11-9/h1-7H
InChIKeyYAMHDNBUUSFGGQ-UHFFFAOYSA-N
XLogP1.66
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxytriazine?
The IUPAC name of 4-phenoxytriazine (CID 21200186) is 4-phenoxytriazine.
What is the SMILES notation for 4-phenoxytriazine?
The canonical SMILES for 4-phenoxytriazine is c1ccc(Oc2ccnnn2)cc1.
What is the InChIKey of 4-phenoxytriazine?
The InChIKey is YAMHDNBUUSFGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c1-2-4-8(5-3-1)13-9-6-7-10-12-11-9/h1-7H.
What are the key properties of 4-phenoxytriazine?
4-phenoxytriazine has a molecular weight of 173.17 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxytriazine is sourced from PubChem (CID 21200186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).