N-(1H-indazol-7-ylmethyl)-N-methylhydroxylamine

C9H11N3O — CID 96741733

IUPACN-(1H-indazol-7-ylmethyl)-N-methylhydroxylamine
SMILESCN(O)Cc1cccc2cn[nH]c12
InChIInChI=1S/C9H11N3O/c1-12(13)6-8-4-2-3-7-5-10-11-9(7)8/h2-5,13H,6H2,1H3,(H,10,11)
InChIKeyHLEWRZXUOWWSIX-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.38
Rot. Bonds2

About N-(1H-indazol-7-ylmethyl)-N-methylhydroxylamine

N-(1H-indazol-7-ylmethyl)-N-methylhydroxylamine (PubChem CID 96741733) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is N-(1H-indazol-7-ylmethyl)-N-methylhydroxylamine.

Molecular Properties

Compound NameN-(1H-indazol-7-ylmethyl)-N-methylhydroxylamine
PubChem CID96741733
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC NameN-(1H-indazol-7-ylmethyl)-N-methylhydroxylamine
SMILESCN(O)Cc1cccc2cn[nH]c12
InChIInChI=1S/C9H11N3O/c1-12(13)6-8-4-2-3-7-5-10-11-9(7)8/h2-5,13H,6H2,1H3,(H,10,11)
InChIKeyHLEWRZXUOWWSIX-UHFFFAOYSA-N
XLogP1.38
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-7-ylmethyl)-N-methylhydroxylamine?
The IUPAC name of N-(1H-indazol-7-ylmethyl)-N-methylhydroxylamine (CID 96741733) is N-(1H-indazol-7-ylmethyl)-N-methylhydroxylamine.
What is the SMILES notation for N-(1H-indazol-7-ylmethyl)-N-methylhydroxylamine?
The canonical SMILES for N-(1H-indazol-7-ylmethyl)-N-methylhydroxylamine is CN(O)Cc1cccc2cn[nH]c12.
What is the InChIKey of N-(1H-indazol-7-ylmethyl)-N-methylhydroxylamine?
The InChIKey is HLEWRZXUOWWSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-12(13)6-8-4-2-3-7-5-10-11-9(7)8/h2-5,13H,6H2,1H3,(H,10,11).
What are the key properties of N-(1H-indazol-7-ylmethyl)-N-methylhydroxylamine?
N-(1H-indazol-7-ylmethyl)-N-methylhydroxylamine has a molecular weight of 177.21 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-7-ylmethyl)-N-methylhydroxylamine is sourced from PubChem (CID 96741733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).