[2-(methylamino)-2-oxidohydrazinyl]methylbenzene

C8H12N3O- — CID 165103699

IUPAC[2-(methylamino)-2-oxidohydrazinyl]methylbenzene
SMILESCNN([O-])NCc1ccccc1
InChIInChI=1S/C8H12N3O/c1-9-11(12)10-7-8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/q-1
InChIKeyTWKJSSLGWKEQCA-UHFFFAOYSA-N
MW166.20 g/mol
LogP0.63
Rot. Bonds4

About [2-(methylamino)-2-oxidohydrazinyl]methylbenzene

[2-(methylamino)-2-oxidohydrazinyl]methylbenzene (PubChem CID 165103699) has the molecular formula C8H12N3O- and a molecular weight of 166.20 g/mol. Its IUPAC name is [2-(methylamino)-2-oxidohydrazinyl]methylbenzene.

Molecular Properties

Compound Name[2-(methylamino)-2-oxidohydrazinyl]methylbenzene
PubChem CID165103699
Molecular FormulaC8H12N3O-
Molecular Weight166.20 g/mol
Exact Mass166.10
IUPAC Name[2-(methylamino)-2-oxidohydrazinyl]methylbenzene
SMILESCNN([O-])NCc1ccccc1
InChIInChI=1S/C8H12N3O/c1-9-11(12)10-7-8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/q-1
InChIKeyTWKJSSLGWKEQCA-UHFFFAOYSA-N
XLogP0.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [2-(methylamino)-2-oxidohydrazinyl]methylbenzene?
The IUPAC name of [2-(methylamino)-2-oxidohydrazinyl]methylbenzene (CID 165103699) is [2-(methylamino)-2-oxidohydrazinyl]methylbenzene.
What is the SMILES notation for [2-(methylamino)-2-oxidohydrazinyl]methylbenzene?
The canonical SMILES for [2-(methylamino)-2-oxidohydrazinyl]methylbenzene is CNN([O-])NCc1ccccc1.
What is the InChIKey of [2-(methylamino)-2-oxidohydrazinyl]methylbenzene?
The InChIKey is TWKJSSLGWKEQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N3O/c1-9-11(12)10-7-8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/q-1.
What are the key properties of [2-(methylamino)-2-oxidohydrazinyl]methylbenzene?
[2-(methylamino)-2-oxidohydrazinyl]methylbenzene has a molecular weight of 166.20 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxidohydrazinyl]methylbenzene is sourced from PubChem (CID 165103699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).