1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-chlorophthalazine

C14H14ClN3 — CID 62142512

IUPAC1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-chlorophthalazine
SMILESClc1nnc(N2CC3CCC2C3)c2ccccc12
InChIInChI=1S/C14H14ClN3/c15-13-11-3-1-2-4-12(11)14(17-16-13)18-8-9-5-6-10(18)7-9/h1-4,9-10H,5-8H2
InChIKeyPPZXTPNALIAVND-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.27
Rot. Bonds1

About 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-chlorophthalazine

1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-chlorophthalazine (PubChem CID 62142512) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-chlorophthalazine.

Molecular Properties

Compound Name1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-chlorophthalazine
PubChem CID62142512
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-chlorophthalazine
SMILESClc1nnc(N2CC3CCC2C3)c2ccccc12
InChIInChI=1S/C14H14ClN3/c15-13-11-3-1-2-4-12(11)14(17-16-13)18-8-9-5-6-10(18)7-9/h1-4,9-10H,5-8H2
InChIKeyPPZXTPNALIAVND-UHFFFAOYSA-N
XLogP3.27
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-chlorophthalazine 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 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-chlorophthalazine?
The IUPAC name of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-chlorophthalazine (CID 62142512) is 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-chlorophthalazine.
What is the SMILES notation for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-chlorophthalazine?
The canonical SMILES for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-chlorophthalazine is Clc1nnc(N2CC3CCC2C3)c2ccccc12.
What is the InChIKey of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-chlorophthalazine?
The InChIKey is PPZXTPNALIAVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c15-13-11-3-1-2-4-12(11)14(17-16-13)18-8-9-5-6-10(18)7-9/h1-4,9-10H,5-8H2.
What are the key properties of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-chlorophthalazine?
1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-chlorophthalazine has a molecular weight of 259.74 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-chlorophthalazine is sourced from PubChem (CID 62142512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).