4-(pyridin-2-ylmethyl)-2H-phthalazin-1-one

C14H11N3O — CID 872966

IUPAC4-(pyridin-2-ylmethyl)-2H-phthalazin-1-one
SMILESO=c1[nH]nc(Cc2ccccn2)c2ccccc12
InChIInChI=1S/C14H11N3O/c18-14-12-7-2-1-6-11(12)13(16-17-14)9-10-5-3-4-8-15-10/h1-8H,9H2,(H,17,18)
InChIKeySKNGMGFYENXZQO-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.91
Rot. Bonds2

About 4-(pyridin-2-ylmethyl)-2H-phthalazin-1-one

4-(pyridin-2-ylmethyl)-2H-phthalazin-1-one (PubChem CID 872966) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-(pyridin-2-ylmethyl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(pyridin-2-ylmethyl)-2H-phthalazin-1-one
PubChem CID872966
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name4-(pyridin-2-ylmethyl)-2H-phthalazin-1-one
SMILESO=c1[nH]nc(Cc2ccccn2)c2ccccc12
InChIInChI=1S/C14H11N3O/c18-14-12-7-2-1-6-11(12)13(16-17-14)9-10-5-3-4-8-15-10/h1-8H,9H2,(H,17,18)
InChIKeySKNGMGFYENXZQO-UHFFFAOYSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(pyridin-2-ylmethyl)-2H-phthalazin-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylmethyl)-2H-phthalazin-1-one?
The IUPAC name of 4-(pyridin-2-ylmethyl)-2H-phthalazin-1-one (CID 872966) is 4-(pyridin-2-ylmethyl)-2H-phthalazin-1-one.
What is the SMILES notation for 4-(pyridin-2-ylmethyl)-2H-phthalazin-1-one?
The canonical SMILES for 4-(pyridin-2-ylmethyl)-2H-phthalazin-1-one is O=c1[nH]nc(Cc2ccccn2)c2ccccc12.
What is the InChIKey of 4-(pyridin-2-ylmethyl)-2H-phthalazin-1-one?
The InChIKey is SKNGMGFYENXZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c18-14-12-7-2-1-6-11(12)13(16-17-14)9-10-5-3-4-8-15-10/h1-8H,9H2,(H,17,18).
What are the key properties of 4-(pyridin-2-ylmethyl)-2H-phthalazin-1-one?
4-(pyridin-2-ylmethyl)-2H-phthalazin-1-one has a molecular weight of 237.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylmethyl)-2H-phthalazin-1-one is sourced from PubChem (CID 872966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).