N-(azetidin-3-yl)-N-ethylphthalazin-1-amine

C13H16N4 — CID 66182409

IUPACN-(azetidin-3-yl)-N-ethylphthalazin-1-amine
SMILESCCN(c1nncc2ccccc12)C1CNC1
InChIInChI=1S/C13H16N4/c1-2-17(11-8-14-9-11)13-12-6-4-3-5-10(12)7-15-16-13/h3-7,11,14H,2,8-9H2,1H3
InChIKeyIFVWUKCYWFWPOB-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.43
Rot. Bonds3

About N-(azetidin-3-yl)-N-ethylphthalazin-1-amine

N-(azetidin-3-yl)-N-ethylphthalazin-1-amine (PubChem CID 66182409) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-ethylphthalazin-1-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-ethylphthalazin-1-amine
PubChem CID66182409
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-(azetidin-3-yl)-N-ethylphthalazin-1-amine
SMILESCCN(c1nncc2ccccc12)C1CNC1
InChIInChI=1S/C13H16N4/c1-2-17(11-8-14-9-11)13-12-6-4-3-5-10(12)7-15-16-13/h3-7,11,14H,2,8-9H2,1H3
InChIKeyIFVWUKCYWFWPOB-UHFFFAOYSA-N
XLogP1.43
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(azetidin-3-yl)-N-ethylphthalazin-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 N-(azetidin-3-yl)-N-ethylphthalazin-1-amine?
The IUPAC name of N-(azetidin-3-yl)-N-ethylphthalazin-1-amine (CID 66182409) is N-(azetidin-3-yl)-N-ethylphthalazin-1-amine.
What is the SMILES notation for N-(azetidin-3-yl)-N-ethylphthalazin-1-amine?
The canonical SMILES for N-(azetidin-3-yl)-N-ethylphthalazin-1-amine is CCN(c1nncc2ccccc12)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-ethylphthalazin-1-amine?
The InChIKey is IFVWUKCYWFWPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-17(11-8-14-9-11)13-12-6-4-3-5-10(12)7-15-16-13/h3-7,11,14H,2,8-9H2,1H3.
What are the key properties of N-(azetidin-3-yl)-N-ethylphthalazin-1-amine?
N-(azetidin-3-yl)-N-ethylphthalazin-1-amine has a molecular weight of 228.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-ethylphthalazin-1-amine is sourced from PubChem (CID 66182409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).