N-(cyclopentylideneamino)phthalazin-1-amine

C13H14N4 — CID 7930061

IUPACN-(cyclopentylideneamino)phthalazin-1-amine
SMILESc1ccc2c(NN=C3CCCC3)nncc2c1
InChIInChI=1S/C13H14N4/c1-4-8-12-10(5-1)9-14-16-13(12)17-15-11-6-2-3-7-11/h1,4-5,8-9H,2-3,6-7H2,(H,16,17)
InChIKeyKFHIHLXQWGZFLH-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.97
Rot. Bonds2

About N-(cyclopentylideneamino)phthalazin-1-amine

N-(cyclopentylideneamino)phthalazin-1-amine (PubChem CID 7930061) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(cyclopentylideneamino)phthalazin-1-amine.

Molecular Properties

Compound NameN-(cyclopentylideneamino)phthalazin-1-amine
PubChem CID7930061
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC NameN-(cyclopentylideneamino)phthalazin-1-amine
SMILESc1ccc2c(NN=C3CCCC3)nncc2c1
InChIInChI=1S/C13H14N4/c1-4-8-12-10(5-1)9-14-16-13(12)17-15-11-6-2-3-7-11/h1,4-5,8-9H,2-3,6-7H2,(H,16,17)
InChIKeyKFHIHLXQWGZFLH-UHFFFAOYSA-N
XLogP2.97
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(cyclopentylideneamino)phthalazin-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-(cyclopentylideneamino)phthalazin-1-amine?
The IUPAC name of N-(cyclopentylideneamino)phthalazin-1-amine (CID 7930061) is N-(cyclopentylideneamino)phthalazin-1-amine.
What is the SMILES notation for N-(cyclopentylideneamino)phthalazin-1-amine?
The canonical SMILES for N-(cyclopentylideneamino)phthalazin-1-amine is c1ccc2c(NN=C3CCCC3)nncc2c1.
What is the InChIKey of N-(cyclopentylideneamino)phthalazin-1-amine?
The InChIKey is KFHIHLXQWGZFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-4-8-12-10(5-1)9-14-16-13(12)17-15-11-6-2-3-7-11/h1,4-5,8-9H,2-3,6-7H2,(H,16,17).
What are the key properties of N-(cyclopentylideneamino)phthalazin-1-amine?
N-(cyclopentylideneamino)phthalazin-1-amine has a molecular weight of 226.28 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)phthalazin-1-amine is sourced from PubChem (CID 7930061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).