2-propan-2-yl-4-pyridin-3-ylphthalazin-1-one

C16H15N3O — CID 10400634

IUPAC2-propan-2-yl-4-pyridin-3-ylphthalazin-1-one
SMILESCC(C)n1nc(-c2cccnc2)c2ccccc2c1=O
InChIInChI=1S/C16H15N3O/c1-11(2)19-16(20)14-8-4-3-7-13(14)15(18-19)12-6-5-9-17-10-12/h3-11H,1-2H3
InChIKeyKZLDQODBGVXIGE-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.04
Rot. Bonds2

About 2-propan-2-yl-4-pyridin-3-ylphthalazin-1-one

2-propan-2-yl-4-pyridin-3-ylphthalazin-1-one (PubChem CID 10400634) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-propan-2-yl-4-pyridin-3-ylphthalazin-1-one.

Molecular Properties

Compound Name2-propan-2-yl-4-pyridin-3-ylphthalazin-1-one
PubChem CID10400634
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-propan-2-yl-4-pyridin-3-ylphthalazin-1-one
SMILESCC(C)n1nc(-c2cccnc2)c2ccccc2c1=O
InChIInChI=1S/C16H15N3O/c1-11(2)19-16(20)14-8-4-3-7-13(14)15(18-19)12-6-5-9-17-10-12/h3-11H,1-2H3
InChIKeyKZLDQODBGVXIGE-UHFFFAOYSA-N
XLogP3.04
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-pyridin-3-ylphthalazin-1-one?
The IUPAC name of 2-propan-2-yl-4-pyridin-3-ylphthalazin-1-one (CID 10400634) is 2-propan-2-yl-4-pyridin-3-ylphthalazin-1-one.
What is the SMILES notation for 2-propan-2-yl-4-pyridin-3-ylphthalazin-1-one?
The canonical SMILES for 2-propan-2-yl-4-pyridin-3-ylphthalazin-1-one is CC(C)n1nc(-c2cccnc2)c2ccccc2c1=O.
What is the InChIKey of 2-propan-2-yl-4-pyridin-3-ylphthalazin-1-one?
The InChIKey is KZLDQODBGVXIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11(2)19-16(20)14-8-4-3-7-13(14)15(18-19)12-6-5-9-17-10-12/h3-11H,1-2H3.
What are the key properties of 2-propan-2-yl-4-pyridin-3-ylphthalazin-1-one?
2-propan-2-yl-4-pyridin-3-ylphthalazin-1-one has a molecular weight of 265.32 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-pyridin-3-ylphthalazin-1-one is sourced from PubChem (CID 10400634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).