(NE)-N-[(2Z)-2-hydroxyimino-1-pyridin-2-yl-2-pyrimidin-4-ylethylidene]hydroxylamine

C11H9N5O2 — CID 135713065

IUPAC(NE)-N-[(2Z)-2-hydroxyimino-1-pyridin-2-yl-2-pyrimidin-4-ylethylidene]hydroxylamine
SMILESO/N=C(C(=N\O)\c1ccccn1)/c1ccncn1
InChIInChI=1S/C11H9N5O2/c17-15-10(8-3-1-2-5-13-8)11(16-18)9-4-6-12-7-14-9/h1-7,17-18H/b15-10+,16-11-
InChIKeyNOTXEXBYWBHGDH-AXOLISODSA-N
MW243.23 g/mol
LogP0.93
Rot. Bonds3

About (NE)-N-[(2Z)-2-hydroxyimino-1-pyridin-2-yl-2-pyrimidin-4-ylethylidene]hydroxylamine

(NE)-N-[(2Z)-2-hydroxyimino-1-pyridin-2-yl-2-pyrimidin-4-ylethylidene]hydroxylamine (PubChem CID 135713065) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is (NE)-N-[(2Z)-2-hydroxyimino-1-pyridin-2-yl-2-pyrimidin-4-ylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2Z)-2-hydroxyimino-1-pyridin-2-yl-2-pyrimidin-4-ylethylidene]hydroxylamine
PubChem CID135713065
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name(NE)-N-[(2Z)-2-hydroxyimino-1-pyridin-2-yl-2-pyrimidin-4-ylethylidene]hydroxylamine
SMILESO/N=C(C(=N\O)\c1ccccn1)/c1ccncn1
InChIInChI=1S/C11H9N5O2/c17-15-10(8-3-1-2-5-13-8)11(16-18)9-4-6-12-7-14-9/h1-7,17-18H/b15-10+,16-11-
InChIKeyNOTXEXBYWBHGDH-AXOLISODSA-N
XLogP0.93
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[(2Z)-2-hydroxyimino-1-pyridin-2-yl-2-pyrimidin-4-ylethylidene]hydroxylamine 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

2-hydroxyimino-1-phenyl-2-pyrimidin-4-ylethanone
CID 137238629
(2Z)-2-hydroxyimino-2-pyridin-2-ylacetamide
CID 140560701
(NE)-N-[pyridin-2-yl(pyridin-4-yl)methylidene]hydroxylamine
CID 137180821
N'-aminopyridine-2-carboximidamide
CID 5464234
4-prop-1-en-2-ylpyrimidine
CID 58549974
(NZ)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine
CID 135427108
di(pyrimidin-4-yl)methanethione
CID 174450252
benzoic acid;pyrimidine-4-carboxamide
CID 174949341
N-[pyridin-2-yl(pyridin-3-yl)methylidene]hydroxylamine
CID 137225687
phosphanyl(pyridin-2-yl)methanone
CID 89397457
pyridine-2-carbothioic S-acid
CID 158789814
ethane;N'-methylpyridine-2-carboximidamide
CID 143309787

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2Z)-2-hydroxyimino-1-pyridin-2-yl-2-pyrimidin-4-ylethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2Z)-2-hydroxyimino-1-pyridin-2-yl-2-pyrimidin-4-ylethylidene]hydroxylamine (CID 135713065) is (NE)-N-[(2Z)-2-hydroxyimino-1-pyridin-2-yl-2-pyrimidin-4-ylethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2Z)-2-hydroxyimino-1-pyridin-2-yl-2-pyrimidin-4-ylethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2Z)-2-hydroxyimino-1-pyridin-2-yl-2-pyrimidin-4-ylethylidene]hydroxylamine is O/N=C(C(=N\O)\c1ccccn1)/c1ccncn1.
What is the InChIKey of (NE)-N-[(2Z)-2-hydroxyimino-1-pyridin-2-yl-2-pyrimidin-4-ylethylidene]hydroxylamine?
The InChIKey is NOTXEXBYWBHGDH-AXOLISODSA-N. The full InChI is InChI=1S/C11H9N5O2/c17-15-10(8-3-1-2-5-13-8)11(16-18)9-4-6-12-7-14-9/h1-7,17-18H/b15-10+,16-11-.
What are the key properties of (NE)-N-[(2Z)-2-hydroxyimino-1-pyridin-2-yl-2-pyrimidin-4-ylethylidene]hydroxylamine?
(NE)-N-[(2Z)-2-hydroxyimino-1-pyridin-2-yl-2-pyrimidin-4-ylethylidene]hydroxylamine has a molecular weight of 243.23 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2Z)-2-hydroxyimino-1-pyridin-2-yl-2-pyrimidin-4-ylethylidene]hydroxylamine is sourced from PubChem (CID 135713065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).