N-[(E)-4-methylpent-3-en-2-ylideneamino]phthalazin-1-amine

C14H16N4 — CID 6419536

IUPACN-[(E)-4-methylpent-3-en-2-ylideneamino]phthalazin-1-amine
SMILESCC(C)=C/C(C)=N/Nc1nncc2ccccc12
InChIInChI=1S/C14H16N4/c1-10(2)8-11(3)16-18-14-13-7-5-4-6-12(13)9-15-17-14/h4-9H,1-3H3,(H,17,18)/b16-11+
InChIKeyDQGFCLJXYFXXIJ-LFIBNONCSA-N
MW240.31 g/mol
LogP3.38
Rot. Bonds3

About N-[(E)-4-methylpent-3-en-2-ylideneamino]phthalazin-1-amine

N-[(E)-4-methylpent-3-en-2-ylideneamino]phthalazin-1-amine (PubChem CID 6419536) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[(E)-4-methylpent-3-en-2-ylideneamino]phthalazin-1-amine.

Molecular Properties

Compound NameN-[(E)-4-methylpent-3-en-2-ylideneamino]phthalazin-1-amine
PubChem CID6419536
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC NameN-[(E)-4-methylpent-3-en-2-ylideneamino]phthalazin-1-amine
SMILESCC(C)=C/C(C)=N/Nc1nncc2ccccc12
InChIInChI=1S/C14H16N4/c1-10(2)8-11(3)16-18-14-13-7-5-4-6-12(13)9-15-17-14/h4-9H,1-3H3,(H,17,18)/b16-11+
InChIKeyDQGFCLJXYFXXIJ-LFIBNONCSA-N
XLogP3.38
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.38
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-[(E)-4-methylpent-3-en-2-ylideneamino]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-[(E)-4-methylpent-3-en-2-ylideneamino]phthalazin-1-amine?
The IUPAC name of N-[(E)-4-methylpent-3-en-2-ylideneamino]phthalazin-1-amine (CID 6419536) is N-[(E)-4-methylpent-3-en-2-ylideneamino]phthalazin-1-amine.
What is the SMILES notation for N-[(E)-4-methylpent-3-en-2-ylideneamino]phthalazin-1-amine?
The canonical SMILES for N-[(E)-4-methylpent-3-en-2-ylideneamino]phthalazin-1-amine is CC(C)=C/C(C)=N/Nc1nncc2ccccc12.
What is the InChIKey of N-[(E)-4-methylpent-3-en-2-ylideneamino]phthalazin-1-amine?
The InChIKey is DQGFCLJXYFXXIJ-LFIBNONCSA-N. The full InChI is InChI=1S/C14H16N4/c1-10(2)8-11(3)16-18-14-13-7-5-4-6-12(13)9-15-17-14/h4-9H,1-3H3,(H,17,18)/b16-11+.
What are the key properties of N-[(E)-4-methylpent-3-en-2-ylideneamino]phthalazin-1-amine?
N-[(E)-4-methylpent-3-en-2-ylideneamino]phthalazin-1-amine has a molecular weight of 240.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-methylpent-3-en-2-ylideneamino]phthalazin-1-amine is sourced from PubChem (CID 6419536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).