(NE)-N-[(2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethylidene]hydroxylamine

C19H15N5O — CID 135465930

IUPAC(NE)-N-[(2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethylidene]hydroxylamine
SMILESNc1nc2ccc(/C(=N/O)c3ccccc3)nn2c1-c1ccccc1
InChIInChI=1S/C19H15N5O/c20-19-18(14-9-5-2-6-10-14)24-16(21-19)12-11-15(22-24)17(23-25)13-7-3-1-4-8-13/h1-12,25H,20H2/b23-17+
InChIKeyWDHJLIWOZVPJAM-HAVVHWLPSA-N
MW329.36 g/mol
LogP3.21
Rot. Bonds3

About (NE)-N-[(2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethylidene]hydroxylamine

(NE)-N-[(2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethylidene]hydroxylamine (PubChem CID 135465930) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is (NE)-N-[(2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethylidene]hydroxylamine
PubChem CID135465930
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name(NE)-N-[(2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethylidene]hydroxylamine
SMILESNc1nc2ccc(/C(=N/O)c3ccccc3)nn2c1-c1ccccc1
InChIInChI=1S/C19H15N5O/c20-19-18(14-9-5-2-6-10-14)24-16(21-19)12-11-15(22-24)17(23-25)13-7-3-1-4-8-13/h1-12,25H,20H2/b23-17+
InChIKeyWDHJLIWOZVPJAM-HAVVHWLPSA-N
XLogP3.21
TPSA88.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethylidene]hydroxylamine (CID 135465930) is (NE)-N-[(2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethylidene]hydroxylamine is Nc1nc2ccc(/C(=N/O)c3ccccc3)nn2c1-c1ccccc1.
What is the InChIKey of (NE)-N-[(2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethylidene]hydroxylamine?
The InChIKey is WDHJLIWOZVPJAM-HAVVHWLPSA-N. The full InChI is InChI=1S/C19H15N5O/c20-19-18(14-9-5-2-6-10-14)24-16(21-19)12-11-15(22-24)17(23-25)13-7-3-1-4-8-13/h1-12,25H,20H2/b23-17+.
What are the key properties of (NE)-N-[(2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethylidene]hydroxylamine?
(NE)-N-[(2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethylidene]hydroxylamine has a molecular weight of 329.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 135465930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).