N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine

C19H18N6O — CID 7398475

IUPACN-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESCCOc1ccc(/C(C)=N/Nc2nn3cnnc3c3ccccc23)cc1
InChIInChI=1S/C19H18N6O/c1-3-26-15-10-8-14(9-11-15)13(2)21-22-18-16-6-4-5-7-17(16)19-23-20-12-25(19)24-18/h4-12H,3H2,1-2H3,(H,22,24)/b21-13+
InChIKeyQTRDIBOKXFPMPU-FYJGNVAPSA-N
MW346.39 g/mol
LogP3.51
Rot. Bonds5

About N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine

N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (PubChem CID 7398475) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.

Molecular Properties

Compound NameN-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
PubChem CID7398475
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC NameN-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESCCOc1ccc(/C(C)=N/Nc2nn3cnnc3c3ccccc23)cc1
InChIInChI=1S/C19H18N6O/c1-3-26-15-10-8-14(9-11-15)13(2)21-22-18-16-6-4-5-7-17(16)19-23-20-12-25(19)24-18/h4-12H,3H2,1-2H3,(H,22,24)/b21-13+
InChIKeyQTRDIBOKXFPMPU-FYJGNVAPSA-N
XLogP3.51
TPSA76.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-1-(4-aminophenyl)ethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 19662003
N-[(E)-1-(3-nitrophenyl)ethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 19662001
N-[1-(4-ethoxyphenyl)ethylideneamino]-5-ethyl-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6808001
N-[(4-phenylmethoxyphenyl)methylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 1416870
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 21250142
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3136866
3-carbazol-9-yl-N-[1-(4-ethoxyphenyl)ethylideneamino]propanamide
CID 4304112
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-methylquinazolin-4-amine
CID 59846655
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 91823777
N-[(E)-(4-methylphenyl)methylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 6863423
N-[(Z)-1-(3,4-diethoxyphenyl)ethylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9023464

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The IUPAC name of N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (CID 7398475) is N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.
What is the SMILES notation for N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The canonical SMILES for N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is CCOc1ccc(/C(C)=N/Nc2nn3cnnc3c3ccccc23)cc1.
What is the InChIKey of N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The InChIKey is QTRDIBOKXFPMPU-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H18N6O/c1-3-26-15-10-8-14(9-11-15)13(2)21-22-18-16-6-4-5-7-17(16)19-23-20-12-25(19)24-18/h4-12H,3H2,1-2H3,(H,22,24)/b21-13+.
What are the key properties of N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine has a molecular weight of 346.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is sourced from PubChem (CID 7398475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).