ethane;2-hydrazinylaniline;molecular hydrogen

C8H17N3 — CID 142165021

IUPACethane;2-hydrazinylaniline;molecular hydrogen
SMILESCC.NNc1ccccc1N.[H][H]
InChIInChI=1S/C6H9N3.C2H6.H2/c7-5-3-1-2-4-6(5)9-8;1-2;/h1-4,9H,7-8H2;1-2H3;1H
InChIKeyBZRBPMPJVXGXIH-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.83
Rot. Bonds1

About ethane;2-hydrazinylaniline;molecular hydrogen

ethane;2-hydrazinylaniline;molecular hydrogen (PubChem CID 142165021) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is ethane;2-hydrazinylaniline;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-hydrazinylaniline;molecular hydrogen
PubChem CID142165021
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Nameethane;2-hydrazinylaniline;molecular hydrogen
SMILESCC.NNc1ccccc1N.[H][H]
InChIInChI=1S/C6H9N3.C2H6.H2/c7-5-3-1-2-4-6(5)9-8;1-2;/h1-4,9H,7-8H2;1-2H3;1H
InChIKeyBZRBPMPJVXGXIH-UHFFFAOYSA-N
XLogP1.83
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-hydrazinylaniline;molecular hydrogen?
The IUPAC name of ethane;2-hydrazinylaniline;molecular hydrogen (CID 142165021) is ethane;2-hydrazinylaniline;molecular hydrogen.
What is the SMILES notation for ethane;2-hydrazinylaniline;molecular hydrogen?
The canonical SMILES for ethane;2-hydrazinylaniline;molecular hydrogen is CC.NNc1ccccc1N.[H][H].
What is the InChIKey of ethane;2-hydrazinylaniline;molecular hydrogen?
The InChIKey is BZRBPMPJVXGXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3.C2H6.H2/c7-5-3-1-2-4-6(5)9-8;1-2;/h1-4,9H,7-8H2;1-2H3;1H.
What are the key properties of ethane;2-hydrazinylaniline;molecular hydrogen?
ethane;2-hydrazinylaniline;molecular hydrogen has a molecular weight of 155.24 g/mol, XLogP of 1.83, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hydrazinylaniline;molecular hydrogen is sourced from PubChem (CID 142165021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).