6-phenyl-3-(2-pyrimidin-2-yloxyethyl)-1,2,3-benzotriazin-4-one

C19H15N5O2 — CID 141435932

IUPAC6-phenyl-3-(2-pyrimidin-2-yloxyethyl)-1,2,3-benzotriazin-4-one
SMILESO=c1c2cc(-c3ccccc3)ccc2nnn1CCOc1ncccn1
InChIInChI=1S/C19H15N5O2/c25-18-16-13-15(14-5-2-1-3-6-14)7-8-17(16)22-23-24(18)11-12-26-19-20-9-4-10-21-19/h1-10,13H,11-12H2
InChIKeyOVIYVXJFCXLBNE-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.33
Rot. Bonds5

About 6-phenyl-3-(2-pyrimidin-2-yloxyethyl)-1,2,3-benzotriazin-4-one

6-phenyl-3-(2-pyrimidin-2-yloxyethyl)-1,2,3-benzotriazin-4-one (PubChem CID 141435932) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 6-phenyl-3-(2-pyrimidin-2-yloxyethyl)-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name6-phenyl-3-(2-pyrimidin-2-yloxyethyl)-1,2,3-benzotriazin-4-one
PubChem CID141435932
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name6-phenyl-3-(2-pyrimidin-2-yloxyethyl)-1,2,3-benzotriazin-4-one
SMILESO=c1c2cc(-c3ccccc3)ccc2nnn1CCOc1ncccn1
InChIInChI=1S/C19H15N5O2/c25-18-16-13-15(14-5-2-1-3-6-14)7-8-17(16)22-23-24(18)11-12-26-19-20-9-4-10-21-19/h1-10,13H,11-12H2
InChIKeyOVIYVXJFCXLBNE-UHFFFAOYSA-N
XLogP2.33
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-(2-pyrimidin-2-yloxyethyl)-1,2,3-benzotriazin-4-one?
The IUPAC name of 6-phenyl-3-(2-pyrimidin-2-yloxyethyl)-1,2,3-benzotriazin-4-one (CID 141435932) is 6-phenyl-3-(2-pyrimidin-2-yloxyethyl)-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 6-phenyl-3-(2-pyrimidin-2-yloxyethyl)-1,2,3-benzotriazin-4-one?
The canonical SMILES for 6-phenyl-3-(2-pyrimidin-2-yloxyethyl)-1,2,3-benzotriazin-4-one is O=c1c2cc(-c3ccccc3)ccc2nnn1CCOc1ncccn1.
What is the InChIKey of 6-phenyl-3-(2-pyrimidin-2-yloxyethyl)-1,2,3-benzotriazin-4-one?
The InChIKey is OVIYVXJFCXLBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c25-18-16-13-15(14-5-2-1-3-6-14)7-8-17(16)22-23-24(18)11-12-26-19-20-9-4-10-21-19/h1-10,13H,11-12H2.
What are the key properties of 6-phenyl-3-(2-pyrimidin-2-yloxyethyl)-1,2,3-benzotriazin-4-one?
6-phenyl-3-(2-pyrimidin-2-yloxyethyl)-1,2,3-benzotriazin-4-one has a molecular weight of 345.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-(2-pyrimidin-2-yloxyethyl)-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 141435932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).