3-phenoxy-1,2,4-triazine

C9H7N3O — CID 132849069

IUPAC3-phenoxy-1,2,4-triazine
SMILESc1ccc(Oc2nccnn2)cc1
InChIInChI=1S/C9H7N3O/c1-2-4-8(5-3-1)13-9-10-6-7-11-12-9/h1-7H
InChIKeyUWSVKVXHZRKFKC-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.66
Rot. Bonds2

About 3-phenoxy-1,2,4-triazine

3-phenoxy-1,2,4-triazine (PubChem CID 132849069) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-phenoxy-1,2,4-triazine.

Molecular Properties

Compound Name3-phenoxy-1,2,4-triazine
PubChem CID132849069
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name3-phenoxy-1,2,4-triazine
SMILESc1ccc(Oc2nccnn2)cc1
InChIInChI=1S/C9H7N3O/c1-2-4-8(5-3-1)13-9-10-6-7-11-12-9/h1-7H
InChIKeyUWSVKVXHZRKFKC-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 3-phenoxy-1,2,4-triazine?
The IUPAC name of 3-phenoxy-1,2,4-triazine (CID 132849069) is 3-phenoxy-1,2,4-triazine.
What is the SMILES notation for 3-phenoxy-1,2,4-triazine?
The canonical SMILES for 3-phenoxy-1,2,4-triazine is c1ccc(Oc2nccnn2)cc1.
What is the InChIKey of 3-phenoxy-1,2,4-triazine?
The InChIKey is UWSVKVXHZRKFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c1-2-4-8(5-3-1)13-9-10-6-7-11-12-9/h1-7H.
What are the key properties of 3-phenoxy-1,2,4-triazine?
3-phenoxy-1,2,4-triazine 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 3-phenoxy-1,2,4-triazine is sourced from PubChem (CID 132849069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).