amino N-ethanehydrazonoylcarbamate

C3H8N4O2 — CID 137243939

IUPACamino N-ethanehydrazonoylcarbamate
SMILESCC(=NN)NC(=O)ON
InChIInChI=1S/C3H8N4O2/c1-2(7-4)6-3(8)9-5/h4-5H2,1H3,(H,6,7,8)
InChIKeyXNTNMQBKVRMZLE-UHFFFAOYSA-N
MW132.12 g/mol
LogP-1.12
Rot. Bonds

About amino N-ethanehydrazonoylcarbamate

amino N-ethanehydrazonoylcarbamate (PubChem CID 137243939) has the molecular formula C3H8N4O2 and a molecular weight of 132.12 g/mol. Its IUPAC name is amino N-ethanehydrazonoylcarbamate.

Molecular Properties

Compound Nameamino N-ethanehydrazonoylcarbamate
PubChem CID137243939
Molecular FormulaC3H8N4O2
Molecular Weight132.12 g/mol
Exact Mass132.06
IUPAC Nameamino N-ethanehydrazonoylcarbamate
SMILESCC(=NN)NC(=O)ON
InChIInChI=1S/C3H8N4O2/c1-2(7-4)6-3(8)9-5/h4-5H2,1H3,(H,6,7,8)
InChIKeyXNTNMQBKVRMZLE-UHFFFAOYSA-N
XLogP-1.12
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of amino N-ethanehydrazonoylcarbamate?
The IUPAC name of amino N-ethanehydrazonoylcarbamate (CID 137243939) is amino N-ethanehydrazonoylcarbamate.
What is the SMILES notation for amino N-ethanehydrazonoylcarbamate?
The canonical SMILES for amino N-ethanehydrazonoylcarbamate is CC(=NN)NC(=O)ON.
What is the InChIKey of amino N-ethanehydrazonoylcarbamate?
The InChIKey is XNTNMQBKVRMZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4O2/c1-2(7-4)6-3(8)9-5/h4-5H2,1H3,(H,6,7,8).
What are the key properties of amino N-ethanehydrazonoylcarbamate?
amino N-ethanehydrazonoylcarbamate has a molecular weight of 132.12 g/mol, XLogP of -1.12, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino N-ethanehydrazonoylcarbamate is sourced from PubChem (CID 137243939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).