N-[(3-methoxyphenyl)methylideneamino]phthalazin-1-amine

C16H14N4O — CID 6831939

IUPACN-[(3-methoxyphenyl)methylideneamino]phthalazin-1-amine
SMILESCOc1cccc(C=NNc2nncc3ccccc23)c1
InChIInChI=1S/C16H14N4O/c1-21-14-7-4-5-12(9-14)10-17-19-16-15-8-3-2-6-13(15)11-18-20-16/h2-11H,1H3,(H,19,20)
InChIKeyPIQUNDFWPNZZGJ-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.08
Rot. Bonds4

About N-[(3-methoxyphenyl)methylideneamino]phthalazin-1-amine

N-[(3-methoxyphenyl)methylideneamino]phthalazin-1-amine (PubChem CID 6831939) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methylideneamino]phthalazin-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methylideneamino]phthalazin-1-amine
PubChem CID6831939
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC NameN-[(3-methoxyphenyl)methylideneamino]phthalazin-1-amine
SMILESCOc1cccc(C=NNc2nncc3ccccc23)c1
InChIInChI=1S/C16H14N4O/c1-21-14-7-4-5-12(9-14)10-17-19-16-15-8-3-2-6-13(15)11-18-20-16/h2-11H,1H3,(H,19,20)
InChIKeyPIQUNDFWPNZZGJ-UHFFFAOYSA-N
XLogP3.08
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(3-methoxyphenyl)methylideneamino]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

Related Compounds

N-[(Z)-(3-phenoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6411688
N-[(3,4,5-trimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6828163
2-methoxy-5-[(phthalazin-1-ylhydrazinylidene)methyl]phenol
CID 6799193
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6413560
N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6812902
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-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine
CID 6111828
N-(pyridin-2-ylmethylideneamino)phthalazin-1-amine
CID 24792239
5-[(phthalazin-1-ylhydrazinylidene)methyl]benzene-1,2,4-triol
CID 140599283
[2-methoxy-4-[(phthalazin-1-ylhydrazinylidene)methyl]phenyl] 4-fluorobenzoate
CID 6788421
N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine
CID 110339403
(E)-(4-methoxyphenyl)methylidenehydrazine;bis(phthalazin-1-ylhydrazine)
CID 87873725

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methylideneamino]phthalazin-1-amine?
The IUPAC name of N-[(3-methoxyphenyl)methylideneamino]phthalazin-1-amine (CID 6831939) is N-[(3-methoxyphenyl)methylideneamino]phthalazin-1-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methylideneamino]phthalazin-1-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methylideneamino]phthalazin-1-amine is COc1cccc(C=NNc2nncc3ccccc23)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methylideneamino]phthalazin-1-amine?
The InChIKey is PIQUNDFWPNZZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-21-14-7-4-5-12(9-14)10-17-19-16-15-8-3-2-6-13(15)11-18-20-16/h2-11H,1H3,(H,19,20).
What are the key properties of N-[(3-methoxyphenyl)methylideneamino]phthalazin-1-amine?
N-[(3-methoxyphenyl)methylideneamino]phthalazin-1-amine has a molecular weight of 278.32 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methylideneamino]phthalazin-1-amine is sourced from PubChem (CID 6831939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).