diazenylcarbamic acid

CH3N3O2 — CID 137175748

IUPACdiazenylcarbamic acid
SMILES[H]/N=N/NC(=O)O
InChIInChI=1S/CH3N3O2/c2-4-3-1(5)6/h(H2,2,3)(H,5,6)
InChIKeyUUJWEZIXHQAMAX-UHFFFAOYSA-N
MW89.05 g/mol
LogP0.20
Rot. Bonds1

About diazenylcarbamic acid

diazenylcarbamic acid (PubChem CID 137175748) has the molecular formula CH3N3O2 and a molecular weight of 89.05 g/mol. Its IUPAC name is diazenylcarbamic acid.

Molecular Properties

Compound Namediazenylcarbamic acid
PubChem CID137175748
Molecular FormulaCH3N3O2
Molecular Weight89.05 g/mol
Exact Mass89.02
IUPAC Namediazenylcarbamic acid
SMILES[H]/N=N/NC(=O)O
InChIInChI=1S/CH3N3O2/c2-4-3-1(5)6/h(H2,2,3)(H,5,6)
InChIKeyUUJWEZIXHQAMAX-UHFFFAOYSA-N
XLogP0.20
TPSA85.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.05
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

N-diazenyl-2-(methylamino)acetamide
CID 137160680
carboxy(diazenyl)carbamic acid
CID 21461025
N-diazenyl-4-nitrobenzamide
CID 141438284
tert-butyl (2S)-2-(diazenylcarbamoyl)-4-methylidenepyrrolidine-1-carboxylate
CID 136621600
(diaminomethylideneamino)carbamic acid;hydrate
CID 139065812
diazenylarsanylformic acid
CID 173089764
N-diazenyl-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide
CID 137159809
(E)-3-(1,3-benzodioxol-5-yl)-N-diazenylprop-2-enamide
CID 136602077
[(carboxyamino)disulfanyl]carbamic acid
CID 18413635
N-iminonitrous amide
CID 57429254
hydrazinyl N-iminocarbamate
CID 174428124
1-diazenyl-3-methyl-1-[(E)-2-(4-methylphenyl)sulfanylethenyl]urea
CID 130323731

Frequently Asked Questions

What is the IUPAC name of diazenylcarbamic acid?
The IUPAC name of diazenylcarbamic acid (CID 137175748) is diazenylcarbamic acid.
What is the SMILES notation for diazenylcarbamic acid?
The canonical SMILES for diazenylcarbamic acid is [H]/N=N/NC(=O)O.
What is the InChIKey of diazenylcarbamic acid?
The InChIKey is UUJWEZIXHQAMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3N3O2/c2-4-3-1(5)6/h(H2,2,3)(H,5,6).
What are the key properties of diazenylcarbamic acid?
diazenylcarbamic acid has a molecular weight of 89.05 g/mol, XLogP of 0.20, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diazenylcarbamic acid is sourced from PubChem (CID 137175748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).