(NE)-N-[(5-aminopyridazin-4-yl)-(4-chlorophenyl)methylidene]hydroxylamine

C11H9ClN4O — CID 137284435

IUPAC(NE)-N-[(5-aminopyridazin-4-yl)-(4-chlorophenyl)methylidene]hydroxylamine
SMILESNc1cnncc1/C(=N/O)c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN4O/c12-8-3-1-7(2-4-8)11(16-17)9-5-14-15-6-10(9)13/h1-6,17H,(H2,13,14)/b16-11+
InChIKeyLWCQVGFEOUUKDV-LFIBNONCSA-N
MW248.67 g/mol
LogP1.94
Rot. Bonds2

About (NE)-N-[(5-aminopyridazin-4-yl)-(4-chlorophenyl)methylidene]hydroxylamine

(NE)-N-[(5-aminopyridazin-4-yl)-(4-chlorophenyl)methylidene]hydroxylamine (PubChem CID 137284435) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is (NE)-N-[(5-aminopyridazin-4-yl)-(4-chlorophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5-aminopyridazin-4-yl)-(4-chlorophenyl)methylidene]hydroxylamine
PubChem CID137284435
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name(NE)-N-[(5-aminopyridazin-4-yl)-(4-chlorophenyl)methylidene]hydroxylamine
SMILESNc1cnncc1/C(=N/O)c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN4O/c12-8-3-1-7(2-4-8)11(16-17)9-5-14-15-6-10(9)13/h1-6,17H,(H2,13,14)/b16-11+
InChIKeyLWCQVGFEOUUKDV-LFIBNONCSA-N
XLogP1.94
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]phenyl]methanol
CID 11482402
N-[(4-bromophenyl)-(2,4-dichlorophenyl)methylidene]hydroxylamine
CID 73431883
bis(chloropalladium(1+));bis(4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]benzene-5-id-1-ol)
CID 134991894
(NE)-N-[arsanyl-(4-chlorophenyl)methylidene]hydroxylamine
CID 173159716
(NE)-N-[2-amino-1-(4-chlorophenyl)ethylidene]hydroxylamine
CID 5358741
(NE)-N-[[2-amino-3-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
CID 59879950
4-chloro-N,N'-dihydroxybenzenecarboximidamide
CID 165349472
N-[(2-amino-5-bromophenyl)-phenylmethylidene]hydroxylamine
CID 555684
(NE)-N-[1-(4-chlorophenyl)-2-(1,2,4-triazol-4-yl)ethylidene]hydroxylamine
CID 11776295
N-[1-(4-chlorophenyl)propylidene]hydroxylamine
CID 74054167
(NE)-N-[(6E)-1,6-bis(4-chlorophenyl)-6-hydroxyiminohexylidene]hydroxylamine
CID 45126946
(NE)-N-[(2E)-1-(4-chlorophenyl)-2-hydroxyiminoethylidene]hydroxylamine
CID 137309663

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(5-aminopyridazin-4-yl)-(4-chlorophenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5-aminopyridazin-4-yl)-(4-chlorophenyl)methylidene]hydroxylamine (CID 137284435) is (NE)-N-[(5-aminopyridazin-4-yl)-(4-chlorophenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5-aminopyridazin-4-yl)-(4-chlorophenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5-aminopyridazin-4-yl)-(4-chlorophenyl)methylidene]hydroxylamine is Nc1cnncc1/C(=N/O)c1ccc(Cl)cc1.
What is the InChIKey of (NE)-N-[(5-aminopyridazin-4-yl)-(4-chlorophenyl)methylidene]hydroxylamine?
The InChIKey is LWCQVGFEOUUKDV-LFIBNONCSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-8-3-1-7(2-4-8)11(16-17)9-5-14-15-6-10(9)13/h1-6,17H,(H2,13,14)/b16-11+.
What are the key properties of (NE)-N-[(5-aminopyridazin-4-yl)-(4-chlorophenyl)methylidene]hydroxylamine?
(NE)-N-[(5-aminopyridazin-4-yl)-(4-chlorophenyl)methylidene]hydroxylamine has a molecular weight of 248.67 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5-aminopyridazin-4-yl)-(4-chlorophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 137284435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).