(NE)-N-[1-(1H-indazol-5-yl)ethylidene]hydroxylamine

C9H9N3O — CID 87086002

IUPAC(NE)-N-[1-(1H-indazol-5-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C9H9N3O/c1-6(12-13)7-2-3-9-8(4-7)5-10-11-9/h2-5,13H,1H3,(H,10,11)/b12-6+
InChIKeyGUMUWCXRMLXXMI-WUXMJOGZSA-N
MW175.19 g/mol
LogP1.76
Rot. Bonds1

About (NE)-N-[1-(1H-indazol-5-yl)ethylidene]hydroxylamine

(NE)-N-[1-(1H-indazol-5-yl)ethylidene]hydroxylamine (PubChem CID 87086002) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is (NE)-N-[1-(1H-indazol-5-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(1H-indazol-5-yl)ethylidene]hydroxylamine
PubChem CID87086002
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name(NE)-N-[1-(1H-indazol-5-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C9H9N3O/c1-6(12-13)7-2-3-9-8(4-7)5-10-11-9/h2-5,13H,1H3,(H,10,11)/b12-6+
InChIKeyGUMUWCXRMLXXMI-WUXMJOGZSA-N
XLogP1.76
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(NE,S)-N-[1-(1H-indazol-5-yl)ethylidene]-2-methylpropane-2-sulfinamide
CID 87212835
N-(3,4-dichlorophenyl)-1-(1H-indazol-5-yl)ethanimine
CID 90281688
N'-amino-1H-indazole-5-carboximidamide
CID 69029061
N-methyl-1H-indazole-5-carboxamide
CID 22934041
N-(dimethylaminomethylidene)-1H-indazole-5-carboxamide
CID 141183520
N-tert-butyl-1H-indazole-5-carboxamide
CID 22933425
ethane;5-methyl-1H-indazole
CID 178026047
N-cyano-1H-indazole-5-carboxamide
CID 79195271
N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide
CID 79027801
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(1H-indazol-5-yl)methanone
CID 124589837
1H-indazole-5-thiolate
CID 51922109
1-(1H-indazol-5-yl)cyclopropan-1-ol
CID 117277102

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(1H-indazol-5-yl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(1H-indazol-5-yl)ethylidene]hydroxylamine (CID 87086002) is (NE)-N-[1-(1H-indazol-5-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(1H-indazol-5-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(1H-indazol-5-yl)ethylidene]hydroxylamine is C/C(=N\O)c1ccc2[nH]ncc2c1.
What is the InChIKey of (NE)-N-[1-(1H-indazol-5-yl)ethylidene]hydroxylamine?
The InChIKey is GUMUWCXRMLXXMI-WUXMJOGZSA-N. The full InChI is InChI=1S/C9H9N3O/c1-6(12-13)7-2-3-9-8(4-7)5-10-11-9/h2-5,13H,1H3,(H,10,11)/b12-6+.
What are the key properties of (NE)-N-[1-(1H-indazol-5-yl)ethylidene]hydroxylamine?
(NE)-N-[1-(1H-indazol-5-yl)ethylidene]hydroxylamine has a molecular weight of 175.19 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(1H-indazol-5-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 87086002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).