N-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine

C15H11ClN4 — CID 6111828

IUPACN-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine
SMILESClc1ccc(/C=N\Nc2nncc3ccccc23)cc1
InChIInChI=1S/C15H11ClN4/c16-13-7-5-11(6-8-13)9-17-19-15-14-4-2-1-3-12(14)10-18-20-15/h1-10H,(H,19,20)/b17-9-
InChIKeyAFKJUIQFLNGLRI-MFOYZWKCSA-N
MW282.73 g/mol
LogP3.73
Rot. Bonds3

About N-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine

N-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine (PubChem CID 6111828) has the molecular formula C15H11ClN4 and a molecular weight of 282.73 g/mol. Its IUPAC name is N-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine.

Molecular Properties

Compound NameN-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine
PubChem CID6111828
Molecular FormulaC15H11ClN4
Molecular Weight282.73 g/mol
Exact Mass282.07
IUPAC NameN-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine
SMILESClc1ccc(/C=N\Nc2nncc3ccccc23)cc1
InChIInChI=1S/C15H11ClN4/c16-13-7-5-11(6-8-13)9-17-19-15-14-4-2-1-3-12(14)10-18-20-15/h1-10H,(H,19,20)/b17-9-
InChIKeyAFKJUIQFLNGLRI-MFOYZWKCSA-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

N-[(3,4,5-trimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6828163
N-[(3-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6831939
2-methoxy-5-[(phthalazin-1-ylhydrazinylidene)methyl]phenol
CID 6799193
N-(pyridin-2-ylmethylideneamino)phthalazin-1-amine
CID 24792239
N-[(Z)-(3-phenoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6411688
5-[(phthalazin-1-ylhydrazinylidene)methyl]benzene-1,2,4-triol
CID 140599283
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]phthalazin-1-amine
CID 6411959
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6413560
N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]phthalazin-1-amine
CID 6148660
2-[2-hydroxy-3-methoxy-5-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl]-6-methoxy-4-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]phenol;dihydrochloride
CID 135939746
N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6812902
4-chloro-N-[(Z)-(4-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 5409694

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine?
The IUPAC name of N-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine (CID 6111828) is N-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine.
What is the SMILES notation for N-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine?
The canonical SMILES for N-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine is Clc1ccc(/C=N\Nc2nncc3ccccc23)cc1.
What is the InChIKey of N-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine?
The InChIKey is AFKJUIQFLNGLRI-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H11ClN4/c16-13-7-5-11(6-8-13)9-17-19-15-14-4-2-1-3-12(14)10-18-20-15/h1-10H,(H,19,20)/b17-9-.
What are the key properties of N-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine?
N-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-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-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine is sourced from PubChem (CID 6111828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).