acetonitrile;hydrazine;2-(2-hydroxyethylamino)ethanol

C6H18N4O2 — CID 157432862

IUPACacetonitrile;hydrazine;2-(2-hydroxyethylamino)ethanol
SMILESCC#N.NN.OCCNCCO
InChIInChI=1S/C4H11NO2.C2H3N.H4N2/c6-3-1-5-2-4-7;1-2-3;1-2/h5-7H,1-4H2;1H3;1-2H2
InChIKeyBQTDPTGJEZOJPP-UHFFFAOYSA-N
MW178.24 g/mol
LogP-2.09
Rot. Bonds4

About acetonitrile;hydrazine;2-(2-hydroxyethylamino)ethanol

acetonitrile;hydrazine;2-(2-hydroxyethylamino)ethanol (PubChem CID 157432862) has the molecular formula C6H18N4O2 and a molecular weight of 178.24 g/mol. Its IUPAC name is acetonitrile;hydrazine;2-(2-hydroxyethylamino)ethanol.

Molecular Properties

Compound Nameacetonitrile;hydrazine;2-(2-hydroxyethylamino)ethanol
PubChem CID157432862
Molecular FormulaC6H18N4O2
Molecular Weight178.24 g/mol
Exact Mass178.14
IUPAC Nameacetonitrile;hydrazine;2-(2-hydroxyethylamino)ethanol
SMILESCC#N.NN.OCCNCCO
InChIInChI=1S/C4H11NO2.C2H3N.H4N2/c6-3-1-5-2-4-7;1-2-3;1-2/h5-7H,1-4H2;1H3;1-2H2
InChIKeyBQTDPTGJEZOJPP-UHFFFAOYSA-N
XLogP-2.09
TPSA128.32 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 5-2.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethylamino)ethanol;propane
CID 142274456
ethanamine;2-(2-hydroxyethylamino)ethanol;hydrofluoride
CID 175606240
acetonitrile;guanidine
CID 158129797
2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride
CID 87137347
2-[(2-hydroxyethylamino)methylamino]ethanol
CID 13307728
2-(ethylamino)ethanol;hydrate
CID 174456532
acetonitrile;ethane-1,2-diol;ethene
CID 130408546
3-(2-hydroxyethylamino)-2-methylpropanenitrile
CID 43389830
tris(2-(2-aminoethylamino)ethanol);titanium
CID 172707183
2-(propylamino)ethanol;hydrobromide
CID 175488073
2-(ethylamino)ethanol;hydroxylamine
CID 159506848
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol
CID 19827531

Frequently Asked Questions

What is the IUPAC name of acetonitrile;hydrazine;2-(2-hydroxyethylamino)ethanol?
The IUPAC name of acetonitrile;hydrazine;2-(2-hydroxyethylamino)ethanol (CID 157432862) is acetonitrile;hydrazine;2-(2-hydroxyethylamino)ethanol.
What is the SMILES notation for acetonitrile;hydrazine;2-(2-hydroxyethylamino)ethanol?
The canonical SMILES for acetonitrile;hydrazine;2-(2-hydroxyethylamino)ethanol is CC#N.NN.OCCNCCO.
What is the InChIKey of acetonitrile;hydrazine;2-(2-hydroxyethylamino)ethanol?
The InChIKey is BQTDPTGJEZOJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.C2H3N.H4N2/c6-3-1-5-2-4-7;1-2-3;1-2/h5-7H,1-4H2;1H3;1-2H2.
What are the key properties of acetonitrile;hydrazine;2-(2-hydroxyethylamino)ethanol?
acetonitrile;hydrazine;2-(2-hydroxyethylamino)ethanol has a molecular weight of 178.24 g/mol, XLogP of -2.09, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;hydrazine;2-(2-hydroxyethylamino)ethanol is sourced from PubChem (CID 157432862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).