(E)-(4-methoxyphenyl)methylidenehydrazine;bis(phthalazin-1-ylhydrazine)

C24H26N10O — CID 87873725

IUPAC(E)-(4-methoxyphenyl)methylidenehydrazine;bis(phthalazin-1-ylhydrazine)
SMILESCOc1ccc(/C=N/N)cc1.NNc1nncc2ccccc12.NNc1nncc2ccccc12
InChIInChI=1S/2C8H8N4.C8H10N2O/c2*9-11-8-7-4-2-1-3-6(7)5-10-12-8;1-11-8-4-2-7(3-5-8)6-10-9/h2*1-5H,9H2,(H,11,12);2-6H,9H2,1H3/b;;10-6+
InChIKeyPQROZPUEWRBETR-RAJGKXNXSA-N
MW470.54 g/mol
LogP2.82
Rot. Bonds4

About (E)-(4-methoxyphenyl)methylidenehydrazine;bis(phthalazin-1-ylhydrazine)

(E)-(4-methoxyphenyl)methylidenehydrazine;bis(phthalazin-1-ylhydrazine) (PubChem CID 87873725) has the molecular formula C24H26N10O and a molecular weight of 470.54 g/mol. Its IUPAC name is (E)-(4-methoxyphenyl)methylidenehydrazine;bis(phthalazin-1-ylhydrazine).

Molecular Properties

Compound Name(E)-(4-methoxyphenyl)methylidenehydrazine;bis(phthalazin-1-ylhydrazine)
PubChem CID87873725
Molecular FormulaC24H26N10O
Molecular Weight470.54 g/mol
Exact Mass470.23
IUPAC Name(E)-(4-methoxyphenyl)methylidenehydrazine;bis(phthalazin-1-ylhydrazine)
SMILESCOc1ccc(/C=N/N)cc1.NNc1nncc2ccccc12.NNc1nncc2ccccc12
InChIInChI=1S/2C8H8N4.C8H10N2O/c2*9-11-8-7-4-2-1-3-6(7)5-10-12-8;1-11-8-4-2-7(3-5-8)6-10-9/h2*1-5H,9H2,(H,11,12);2-6H,9H2,1H3/b;;10-6+
InChIKeyPQROZPUEWRBETR-RAJGKXNXSA-N
XLogP2.82
TPSA175.27 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.54
LogP ≤ 52.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6831939
N-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine
CID 6111828
N-[(3,4,5-trimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6828163
2-methoxy-5-[(phthalazin-1-ylhydrazinylidene)methyl]phenol
CID 6799193
N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6812902
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6413560
4-chloro-N-[(Z)-(4-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 5409694
N-[(Z)-(3-phenoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6411688
2-[2-hydroxy-3-methoxy-5-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl]-6-methoxy-4-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]phenol;dihydrochloride
CID 135939746
2-(phthalazin-1-ylamino)ethanol
CID 2065587
N-(2-methyl-2-methylsulfonylpropyl)phthalazin-1-amine
CID 79563207
N-[(E)-4-methylpent-3-en-2-ylideneamino]phthalazin-1-amine
CID 6419536

Frequently Asked Questions

What is the IUPAC name of (E)-(4-methoxyphenyl)methylidenehydrazine;bis(phthalazin-1-ylhydrazine)?
The IUPAC name of (E)-(4-methoxyphenyl)methylidenehydrazine;bis(phthalazin-1-ylhydrazine) (CID 87873725) is (E)-(4-methoxyphenyl)methylidenehydrazine;bis(phthalazin-1-ylhydrazine).
What is the SMILES notation for (E)-(4-methoxyphenyl)methylidenehydrazine;bis(phthalazin-1-ylhydrazine)?
The canonical SMILES for (E)-(4-methoxyphenyl)methylidenehydrazine;bis(phthalazin-1-ylhydrazine) is COc1ccc(/C=N/N)cc1.NNc1nncc2ccccc12.NNc1nncc2ccccc12.
What is the InChIKey of (E)-(4-methoxyphenyl)methylidenehydrazine;bis(phthalazin-1-ylhydrazine)?
The InChIKey is PQROZPUEWRBETR-RAJGKXNXSA-N. The full InChI is InChI=1S/2C8H8N4.C8H10N2O/c2*9-11-8-7-4-2-1-3-6(7)5-10-12-8;1-11-8-4-2-7(3-5-8)6-10-9/h2*1-5H,9H2,(H,11,12);2-6H,9H2,1H3/b;;10-6+.
What are the key properties of (E)-(4-methoxyphenyl)methylidenehydrazine;bis(phthalazin-1-ylhydrazine)?
(E)-(4-methoxyphenyl)methylidenehydrazine;bis(phthalazin-1-ylhydrazine) has a molecular weight of 470.54 g/mol, XLogP of 2.82, 4 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(4-methoxyphenyl)methylidenehydrazine;bis(phthalazin-1-ylhydrazine) is sourced from PubChem (CID 87873725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).