3-amino-5-phthalazin-1-yl-1H-pyridin-2-one

C13H10N4O — CID 57217859

IUPAC3-amino-5-phthalazin-1-yl-1H-pyridin-2-one
SMILESNc1cc(-c2nncc3ccccc23)c[nH]c1=O
InChIInChI=1S/C13H10N4O/c14-11-5-9(6-15-13(11)18)12-10-4-2-1-3-8(10)7-16-17-12/h1-7H,14H2,(H,15,18)
InChIKeyCSPTUXREPVOPKY-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.57
Rot. Bonds1

About 3-amino-5-phthalazin-1-yl-1H-pyridin-2-one

3-amino-5-phthalazin-1-yl-1H-pyridin-2-one (PubChem CID 57217859) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-amino-5-phthalazin-1-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-phthalazin-1-yl-1H-pyridin-2-one
PubChem CID57217859
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name3-amino-5-phthalazin-1-yl-1H-pyridin-2-one
SMILESNc1cc(-c2nncc3ccccc23)c[nH]c1=O
InChIInChI=1S/C13H10N4O/c14-11-5-9(6-15-13(11)18)12-10-4-2-1-3-8(10)7-16-17-12/h1-7H,14H2,(H,15,18)
InChIKeyCSPTUXREPVOPKY-UHFFFAOYSA-N
XLogP1.57
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-5-phthalazin-1-yl-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-5-phthalazin-1-yl-1H-pyridin-2-one
CID 57233263
1-phenylphthalazine
CID 609624
3-bromo-4-methyl-5-phthalazin-1-yl-1H-pyridin-2-one
CID 57319676
3-amino-5-(2-fluorophenyl)-1H-pyridin-2-one
CID 82076872
2-chloro-4-phthalazin-1-ylphenol
CID 150345574
[4-phthalazin-1-yl-2-(trifluoromethyl)phenyl]methanamine
CID 157040015
5-(5-amino-6-oxo-1H-pyridin-3-yl)pyridine-3-carbonitrile
CID 90261250
3-amino-5-pyrazin-2-yl-1H-pyridin-2-one
CID 13456642
3-amino-5-pyridin-4-yl-1H-pyridin-2-one;5-pyridin-4-ylpyridin-3-amine
CID 67644890
1-(2,4-difluorophenyl)phthalazine
CID 175330738
1-quinazolin-2-ylphthalazine
CID 57181955
2-(phthalazin-1-ylamino)acetamide
CID 43395562

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-phthalazin-1-yl-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-phthalazin-1-yl-1H-pyridin-2-one (CID 57217859) is 3-amino-5-phthalazin-1-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-phthalazin-1-yl-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-phthalazin-1-yl-1H-pyridin-2-one is Nc1cc(-c2nncc3ccccc23)c[nH]c1=O.
What is the InChIKey of 3-amino-5-phthalazin-1-yl-1H-pyridin-2-one?
The InChIKey is CSPTUXREPVOPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-11-5-9(6-15-13(11)18)12-10-4-2-1-3-8(10)7-16-17-12/h1-7H,14H2,(H,15,18).
What are the key properties of 3-amino-5-phthalazin-1-yl-1H-pyridin-2-one?
3-amino-5-phthalazin-1-yl-1H-pyridin-2-one has a molecular weight of 238.25 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-phthalazin-1-yl-1H-pyridin-2-one is sourced from PubChem (CID 57217859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).