3-(2-oxo-2-pyridin-3-ylethyl)-[1,2,4]triazino[3,4-a]phthalazin-4-one

C17H11N5O2 — CID 13143865

IUPAC3-(2-oxo-2-pyridin-3-ylethyl)-[1,2,4]triazino[3,4-a]phthalazin-4-one
SMILESO=C(Cc1nnc2c3ccccc3cnn2c1=O)c1cccnc1
InChIInChI=1S/C17H11N5O2/c23-15(12-5-3-7-18-9-12)8-14-17(24)22-16(21-20-14)13-6-2-1-4-11(13)10-19-22/h1-7,9-10H,8H2
InChIKeyAWDLZRWQBQKQQC-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.46
Rot. Bonds3

About 3-(2-oxo-2-pyridin-3-ylethyl)-[1,2,4]triazino[3,4-a]phthalazin-4-one

3-(2-oxo-2-pyridin-3-ylethyl)-[1,2,4]triazino[3,4-a]phthalazin-4-one (PubChem CID 13143865) has the molecular formula C17H11N5O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 3-(2-oxo-2-pyridin-3-ylethyl)-[1,2,4]triazino[3,4-a]phthalazin-4-one.

Molecular Properties

Compound Name3-(2-oxo-2-pyridin-3-ylethyl)-[1,2,4]triazino[3,4-a]phthalazin-4-one
PubChem CID13143865
Molecular FormulaC17H11N5O2
Molecular Weight317.31 g/mol
Exact Mass317.09
IUPAC Name3-(2-oxo-2-pyridin-3-ylethyl)-[1,2,4]triazino[3,4-a]phthalazin-4-one
SMILESO=C(Cc1nnc2c3ccccc3cnn2c1=O)c1cccnc1
InChIInChI=1S/C17H11N5O2/c23-15(12-5-3-7-18-9-12)8-14-17(24)22-16(21-20-14)13-6-2-1-4-11(13)10-19-22/h1-7,9-10H,8H2
InChIKeyAWDLZRWQBQKQQC-UHFFFAOYSA-N
XLogP1.46
TPSA90.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-2-pyridin-3-ylethyl)-[1,2,4]triazino[3,4-a]phthalazin-4-one?
The IUPAC name of 3-(2-oxo-2-pyridin-3-ylethyl)-[1,2,4]triazino[3,4-a]phthalazin-4-one (CID 13143865) is 3-(2-oxo-2-pyridin-3-ylethyl)-[1,2,4]triazino[3,4-a]phthalazin-4-one.
What is the SMILES notation for 3-(2-oxo-2-pyridin-3-ylethyl)-[1,2,4]triazino[3,4-a]phthalazin-4-one?
The canonical SMILES for 3-(2-oxo-2-pyridin-3-ylethyl)-[1,2,4]triazino[3,4-a]phthalazin-4-one is O=C(Cc1nnc2c3ccccc3cnn2c1=O)c1cccnc1.
What is the InChIKey of 3-(2-oxo-2-pyridin-3-ylethyl)-[1,2,4]triazino[3,4-a]phthalazin-4-one?
The InChIKey is AWDLZRWQBQKQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5O2/c23-15(12-5-3-7-18-9-12)8-14-17(24)22-16(21-20-14)13-6-2-1-4-11(13)10-19-22/h1-7,9-10H,8H2.
What are the key properties of 3-(2-oxo-2-pyridin-3-ylethyl)-[1,2,4]triazino[3,4-a]phthalazin-4-one?
3-(2-oxo-2-pyridin-3-ylethyl)-[1,2,4]triazino[3,4-a]phthalazin-4-one has a molecular weight of 317.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-2-pyridin-3-ylethyl)-[1,2,4]triazino[3,4-a]phthalazin-4-one is sourced from PubChem (CID 13143865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).