4-chloro-N-cyclopentylphthalazin-1-amine

C13H14ClN3 — CID 62140614

IUPAC4-chloro-N-cyclopentylphthalazin-1-amine
SMILESClc1nnc(NC2CCCC2)c2ccccc12
InChIInChI=1S/C13H14ClN3/c14-12-10-7-3-4-8-11(10)13(17-16-12)15-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,15,17)
InChIKeyAYQRRYUPNXHZDP-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.64
Rot. Bonds2

About 4-chloro-N-cyclopentylphthalazin-1-amine

4-chloro-N-cyclopentylphthalazin-1-amine (PubChem CID 62140614) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 4-chloro-N-cyclopentylphthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-cyclopentylphthalazin-1-amine
PubChem CID62140614
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name4-chloro-N-cyclopentylphthalazin-1-amine
SMILESClc1nnc(NC2CCCC2)c2ccccc12
InChIInChI=1S/C13H14ClN3/c14-12-10-7-3-4-8-11(10)13(17-16-12)15-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,15,17)
InChIKeyAYQRRYUPNXHZDP-UHFFFAOYSA-N
XLogP3.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-cyclopentylphthalazin-1-amine 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-chloro-N-cyclopentylphthalazin-1-amine?
The IUPAC name of 4-chloro-N-cyclopentylphthalazin-1-amine (CID 62140614) is 4-chloro-N-cyclopentylphthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-cyclopentylphthalazin-1-amine?
The canonical SMILES for 4-chloro-N-cyclopentylphthalazin-1-amine is Clc1nnc(NC2CCCC2)c2ccccc12.
What is the InChIKey of 4-chloro-N-cyclopentylphthalazin-1-amine?
The InChIKey is AYQRRYUPNXHZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c14-12-10-7-3-4-8-11(10)13(17-16-12)15-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,15,17).
What are the key properties of 4-chloro-N-cyclopentylphthalazin-1-amine?
4-chloro-N-cyclopentylphthalazin-1-amine has a molecular weight of 247.73 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopentylphthalazin-1-amine is sourced from PubChem (CID 62140614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).