hydrazinyl N-iminocarbamate

CH4N4O2 — CID 174428124

IUPAChydrazinyl N-iminocarbamate
SMILES[H]/N=N/C(=O)ONN
InChIInChI=1S/CH4N4O2/c2-4-1(6)7-5-3/h2,5H,3H2/b4-2+
InChIKeyLGINJCIXEGRPJI-DUXPYHPUSA-N
MW104.07 g/mol
LogP-0.47
Rot. Bonds1

About hydrazinyl N-iminocarbamate

hydrazinyl N-iminocarbamate (PubChem CID 174428124) has the molecular formula CH4N4O2 and a molecular weight of 104.07 g/mol. Its IUPAC name is hydrazinyl N-iminocarbamate.

Molecular Properties

Compound Namehydrazinyl N-iminocarbamate
PubChem CID174428124
Molecular FormulaCH4N4O2
Molecular Weight104.07 g/mol
Exact Mass104.03
IUPAC Namehydrazinyl N-iminocarbamate
SMILES[H]/N=N/C(=O)ONN
InChIInChI=1S/CH4N4O2/c2-4-1(6)7-5-3/h2,5H,3H2/b4-2+
InChIKeyLGINJCIXEGRPJI-DUXPYHPUSA-N
XLogP-0.47
TPSA100.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.07
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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 hydrazinyl N-iminocarbamate?
The IUPAC name of hydrazinyl N-iminocarbamate (CID 174428124) is hydrazinyl N-iminocarbamate.
What is the SMILES notation for hydrazinyl N-iminocarbamate?
The canonical SMILES for hydrazinyl N-iminocarbamate is [H]/N=N/C(=O)ONN.
What is the InChIKey of hydrazinyl N-iminocarbamate?
The InChIKey is LGINJCIXEGRPJI-DUXPYHPUSA-N. The full InChI is InChI=1S/CH4N4O2/c2-4-1(6)7-5-3/h2,5H,3H2/b4-2+.
What are the key properties of hydrazinyl N-iminocarbamate?
hydrazinyl N-iminocarbamate has a molecular weight of 104.07 g/mol, XLogP of -0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl N-iminocarbamate is sourced from PubChem (CID 174428124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).