N-[(E)-benzylideneamino]-4-chlorophthalazin-1-amine

C15H11ClN4 — CID 6867765

IUPACN-[(E)-benzylideneamino]-4-chlorophthalazin-1-amine
SMILESClc1nnc(N/N=C/c2ccccc2)c2ccccc12
InChIInChI=1S/C15H11ClN4/c16-14-12-8-4-5-9-13(12)15(20-18-14)19-17-10-11-6-2-1-3-7-11/h1-10H,(H,19,20)/b17-10+
InChIKeyXWEDVIXMINEDLB-LICLKQGHSA-N
MW282.73 g/mol
LogP3.73
Rot. Bonds3

About N-[(E)-benzylideneamino]-4-chlorophthalazin-1-amine

N-[(E)-benzylideneamino]-4-chlorophthalazin-1-amine (PubChem CID 6867765) has the molecular formula C15H11ClN4 and a molecular weight of 282.73 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-4-chlorophthalazin-1-amine.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-4-chlorophthalazin-1-amine
PubChem CID6867765
Molecular FormulaC15H11ClN4
Molecular Weight282.73 g/mol
Exact Mass282.07
IUPAC NameN-[(E)-benzylideneamino]-4-chlorophthalazin-1-amine
SMILESClc1nnc(N/N=C/c2ccccc2)c2ccccc12
InChIInChI=1S/C15H11ClN4/c16-14-12-8-4-5-9-13(12)15(20-18-14)19-17-10-11-6-2-1-3-7-11/h1-10H,(H,19,20)/b17-10+
InChIKeyXWEDVIXMINEDLB-LICLKQGHSA-N
XLogP3.73
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.73
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'}

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Related Compounds

Hydralazine
CID 3637
Hydralazine Hydrochloride
CID 9351
Dihydralazine
CID 10230
Budralazine
CID 2463
Phthalazine-1,4-diamine
CID 312341
1-(2-Benzylidenehydrazinyl)phthalazine
CID 9603435
1-(2-Phthalazin-1-ylhydrazino)phthalazine
CID 277728
1-Phthalazinamine
CID 29399
N-[(Z)-[(E)-3-(4-chlorophenyl)-1-phenylprop-2-enylidene]amino]phthalazin-1-amine
CID 134133815
N-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]phthalazin-1-amine
CID 134135021
N-[(Z)-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]amino]phthalazin-1-amine
CID 134149906
N-[(E)-(3-methylphenyl)methylideneamino]phthalazin-1-amine
CID 9614461

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-4-chlorophthalazin-1-amine?
The IUPAC name of N-[(E)-benzylideneamino]-4-chlorophthalazin-1-amine (CID 6867765) is N-[(E)-benzylideneamino]-4-chlorophthalazin-1-amine.
What is the SMILES notation for N-[(E)-benzylideneamino]-4-chlorophthalazin-1-amine?
The canonical SMILES for N-[(E)-benzylideneamino]-4-chlorophthalazin-1-amine is Clc1nnc(N/N=C/c2ccccc2)c2ccccc12.
What is the InChIKey of N-[(E)-benzylideneamino]-4-chlorophthalazin-1-amine?
The InChIKey is XWEDVIXMINEDLB-LICLKQGHSA-N. The full InChI is InChI=1S/C15H11ClN4/c16-14-12-8-4-5-9-13(12)15(20-18-14)19-17-10-11-6-2-1-3-7-11/h1-10H,(H,19,20)/b17-10+.
What are the key properties of N-[(E)-benzylideneamino]-4-chlorophthalazin-1-amine?
N-[(E)-benzylideneamino]-4-chlorophthalazin-1-amine has a molecular weight of 282.73 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-4-chlorophthalazin-1-amine is sourced from PubChem (CID 6867765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).