carboxy(diazenyl)carbamic acid

C2H3N3O4 — CID 21461025

IUPACcarboxy(diazenyl)carbamic acid
SMILES[H]/N=N/N(C(=O)O)C(=O)O
InChIInChI=1S/C2H3N3O4/c3-4-5(1(6)7)2(8)9/h3H,(H,6,7)(H,8,9)/b4-3+
InChIKeyCHRVRTPRXRNYMF-ONEGZZNKSA-N
MW133.06 g/mol
LogP0.59
Rot. Bonds1

About carboxy(diazenyl)carbamic acid

carboxy(diazenyl)carbamic acid (PubChem CID 21461025) has the molecular formula C2H3N3O4 and a molecular weight of 133.06 g/mol. Its IUPAC name is carboxy(diazenyl)carbamic acid.

Molecular Properties

Compound Namecarboxy(diazenyl)carbamic acid
PubChem CID21461025
Molecular FormulaC2H3N3O4
Molecular Weight133.06 g/mol
Exact Mass133.01
IUPAC Namecarboxy(diazenyl)carbamic acid
SMILES[H]/N=N/N(C(=O)O)C(=O)O
InChIInChI=1S/C2H3N3O4/c3-4-5(1(6)7)2(8)9/h3H,(H,6,7)(H,8,9)/b4-3+
InChIKeyCHRVRTPRXRNYMF-ONEGZZNKSA-N
XLogP0.59
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.06
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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 carboxy(diazenyl)carbamic acid?
The IUPAC name of carboxy(diazenyl)carbamic acid (CID 21461025) is carboxy(diazenyl)carbamic acid.
What is the SMILES notation for carboxy(diazenyl)carbamic acid?
The canonical SMILES for carboxy(diazenyl)carbamic acid is [H]/N=N/N(C(=O)O)C(=O)O.
What is the InChIKey of carboxy(diazenyl)carbamic acid?
The InChIKey is CHRVRTPRXRNYMF-ONEGZZNKSA-N. The full InChI is InChI=1S/C2H3N3O4/c3-4-5(1(6)7)2(8)9/h3H,(H,6,7)(H,8,9)/b4-3+.
What are the key properties of carboxy(diazenyl)carbamic acid?
carboxy(diazenyl)carbamic acid has a molecular weight of 133.06 g/mol, XLogP of 0.59, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy(diazenyl)carbamic acid is sourced from PubChem (CID 21461025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).