(NE)-N-[[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-phenylmethylidene]hydroxylamine

C19H14FN5O — CID 135480594

IUPAC(NE)-N-[[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-phenylmethylidene]hydroxylamine
SMILESNc1nc2ccc(/C(=N/O)c3ccccc3)nn2c1-c1ccc(F)cc1
InChIInChI=1S/C19H14FN5O/c20-14-8-6-13(7-9-14)18-19(21)22-16-11-10-15(23-25(16)18)17(24-26)12-4-2-1-3-5-12/h1-11,26H,21H2/b24-17+
InChIKeyPBCRIASDIBXKSF-JJIBRWJFSA-N
MW347.35 g/mol
LogP3.34
Rot. Bonds3

About (NE)-N-[[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-phenylmethylidene]hydroxylamine

(NE)-N-[[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-phenylmethylidene]hydroxylamine (PubChem CID 135480594) has the molecular formula C19H14FN5O and a molecular weight of 347.35 g/mol. Its IUPAC name is (NE)-N-[[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-phenylmethylidene]hydroxylamine
PubChem CID135480594
Molecular FormulaC19H14FN5O
Molecular Weight347.35 g/mol
Exact Mass347.12
IUPAC Name(NE)-N-[[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-phenylmethylidene]hydroxylamine
SMILESNc1nc2ccc(/C(=N/O)c3ccccc3)nn2c1-c1ccc(F)cc1
InChIInChI=1S/C19H14FN5O/c20-14-8-6-13(7-9-14)18-19(21)22-16-11-10-15(23-25(16)18)17(24-26)12-4-2-1-3-5-12/h1-11,26H,21H2/b24-17+
InChIKeyPBCRIASDIBXKSF-JJIBRWJFSA-N
XLogP3.34
TPSA88.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.34
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-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-phenylmethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-phenylmethylidene]hydroxylamine (CID 135480594) is (NE)-N-[[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-phenylmethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-phenylmethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-phenylmethylidene]hydroxylamine is Nc1nc2ccc(/C(=N/O)c3ccccc3)nn2c1-c1ccc(F)cc1.
What is the InChIKey of (NE)-N-[[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-phenylmethylidene]hydroxylamine?
The InChIKey is PBCRIASDIBXKSF-JJIBRWJFSA-N. The full InChI is InChI=1S/C19H14FN5O/c20-14-8-6-13(7-9-14)18-19(21)22-16-11-10-15(23-25(16)18)17(24-26)12-4-2-1-3-5-12/h1-11,26H,21H2/b24-17+.
What are the key properties of (NE)-N-[[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-phenylmethylidene]hydroxylamine?
(NE)-N-[[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-phenylmethylidene]hydroxylamine has a molecular weight of 347.35 g/mol, XLogP of 3.34, 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-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 135480594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).