(NE)-N-[1-(1-propan-2-ylindazol-3-yl)ethylidene]hydroxylamine

C12H15N3O — CID 135731507

IUPAC(NE)-N-[1-(1-propan-2-ylindazol-3-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1nn(C(C)C)c2ccccc12
InChIInChI=1S/C12H15N3O/c1-8(2)15-11-7-5-4-6-10(11)12(13-15)9(3)14-16/h4-8,16H,1-3H3/b14-9+
InChIKeyCUMZGQBCLORSRP-NTEUORMPSA-N
MW217.27 g/mol
LogP2.82
Rot. Bonds2

About (NE)-N-[1-(1-propan-2-ylindazol-3-yl)ethylidene]hydroxylamine

(NE)-N-[1-(1-propan-2-ylindazol-3-yl)ethylidene]hydroxylamine (PubChem CID 135731507) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is (NE)-N-[1-(1-propan-2-ylindazol-3-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(1-propan-2-ylindazol-3-yl)ethylidene]hydroxylamine
PubChem CID135731507
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name(NE)-N-[1-(1-propan-2-ylindazol-3-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1nn(C(C)C)c2ccccc12
InChIInChI=1S/C12H15N3O/c1-8(2)15-11-7-5-4-6-10(11)12(13-15)9(3)14-16/h4-8,16H,1-3H3/b14-9+
InChIKeyCUMZGQBCLORSRP-NTEUORMPSA-N
XLogP2.82
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(E)-but-2-enedioic acid;1-propan-2-ylindazole-3-carboxylic acid
CID 162310578
(NZ)-N-[1-(1-prop-2-enylindazol-3-yl)ethylidene]hydroxylamine
CID 135977941
1-propan-2-ylindazole-3-carbaldehyde
CID 87676732
N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide;vanadium
CID 159657353
N-[(1R,5S)-8-(2,2-dimethoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 67444536
(2R,4S)-2-(2-acetamidoethyl)-2-tert-butyl-4-[(1-propan-2-ylindazole-3-carbonyl)amino]pyrrolidine-1-carboxylic acid
CID 67270968
N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 10834269
N-[2-(4-aminopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid
CID 86751129
(2S,4S)-2-[2-(dimethylamino)-2-oxoethyl]-4-[(1-propan-2-ylindazole-3-carbonyl)amino]pyrrolidine-1-carboxylic acid
CID 67270630
N-[(3S,5S)-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 59829633
N-[2-(4-benzamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide
CID 10717651
N-methyl-4-oxo-3-propan-2-yl-N-[(1S)-1-thiophen-2-ylethyl]phthalazine-1-carboxamide
CID 94482644

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(1-propan-2-ylindazol-3-yl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(1-propan-2-ylindazol-3-yl)ethylidene]hydroxylamine (CID 135731507) is (NE)-N-[1-(1-propan-2-ylindazol-3-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(1-propan-2-ylindazol-3-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(1-propan-2-ylindazol-3-yl)ethylidene]hydroxylamine is C/C(=N\O)c1nn(C(C)C)c2ccccc12.
What is the InChIKey of (NE)-N-[1-(1-propan-2-ylindazol-3-yl)ethylidene]hydroxylamine?
The InChIKey is CUMZGQBCLORSRP-NTEUORMPSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8(2)15-11-7-5-4-6-10(11)12(13-15)9(3)14-16/h4-8,16H,1-3H3/b14-9+.
What are the key properties of (NE)-N-[1-(1-propan-2-ylindazol-3-yl)ethylidene]hydroxylamine?
(NE)-N-[1-(1-propan-2-ylindazol-3-yl)ethylidene]hydroxylamine has a molecular weight of 217.27 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(1-propan-2-ylindazol-3-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 135731507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).