acetonitrile;N'-hydroxyethanimidamide;hydroxylamine

C4H12N4O2 — CID 172949722

IUPACacetonitrile;N'-hydroxyethanimidamide;hydroxylamine
SMILESC/C(N)=N/O.CC#N.NO
InChIInChI=1S/C2H6N2O.C2H3N.H3NO/c1-2(3)4-5;1-2-3;1-2/h5H,1H3,(H2,3,4);1H3;2H,1H2
InChIKeyGLALANWDUYKBGV-UHFFFAOYSA-N
MW148.17 g/mol
LogP-0.38
Rot. Bonds

About acetonitrile;N'-hydroxyethanimidamide;hydroxylamine

acetonitrile;N'-hydroxyethanimidamide;hydroxylamine (PubChem CID 172949722) has the molecular formula C4H12N4O2 and a molecular weight of 148.17 g/mol. Its IUPAC name is acetonitrile;N'-hydroxyethanimidamide;hydroxylamine.

Molecular Properties

Compound Nameacetonitrile;N'-hydroxyethanimidamide;hydroxylamine
PubChem CID172949722
Molecular FormulaC4H12N4O2
Molecular Weight148.17 g/mol
Exact Mass148.10
IUPAC Nameacetonitrile;N'-hydroxyethanimidamide;hydroxylamine
SMILESC/C(N)=N/O.CC#N.NO
InChIInChI=1S/C2H6N2O.C2H3N.H3NO/c1-2(3)4-5;1-2-3;1-2/h5H,1H3,(H2,3,4);1H3;2H,1H2
InChIKeyGLALANWDUYKBGV-UHFFFAOYSA-N
XLogP-0.38
TPSA128.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 acetonitrile;N'-hydroxyethanimidamide;hydroxylamine?
The IUPAC name of acetonitrile;N'-hydroxyethanimidamide;hydroxylamine (CID 172949722) is acetonitrile;N'-hydroxyethanimidamide;hydroxylamine.
What is the SMILES notation for acetonitrile;N'-hydroxyethanimidamide;hydroxylamine?
The canonical SMILES for acetonitrile;N'-hydroxyethanimidamide;hydroxylamine is C/C(N)=N/O.CC#N.NO.
What is the InChIKey of acetonitrile;N'-hydroxyethanimidamide;hydroxylamine?
The InChIKey is GLALANWDUYKBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O.C2H3N.H3NO/c1-2(3)4-5;1-2-3;1-2/h5H,1H3,(H2,3,4);1H3;2H,1H2.
What are the key properties of acetonitrile;N'-hydroxyethanimidamide;hydroxylamine?
acetonitrile;N'-hydroxyethanimidamide;hydroxylamine has a molecular weight of 148.17 g/mol, XLogP of -0.38, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;N'-hydroxyethanimidamide;hydroxylamine is sourced from PubChem (CID 172949722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).