azane;carbamic acid;carbon dioxide

C2H9N3O4 — CID 173237577

IUPACazane;carbamic acid;carbon dioxide
SMILESN.N.NC(=O)O.O=C=O
InChIInChI=1S/CH3NO2.CO2.2H3N/c2-1(3)4;2-1-3;;/h2H2,(H,3,4);;2*1H3
InChIKeySHAFCDFARLVBLG-UHFFFAOYSA-N
MW139.11 g/mol
LogP-0.64
Rot. Bonds

About azane;carbamic acid;carbon dioxide

azane;carbamic acid;carbon dioxide (PubChem CID 173237577) has the molecular formula C2H9N3O4 and a molecular weight of 139.11 g/mol. Its IUPAC name is azane;carbamic acid;carbon dioxide.

Molecular Properties

Compound Nameazane;carbamic acid;carbon dioxide
PubChem CID173237577
Molecular FormulaC2H9N3O4
Molecular Weight139.11 g/mol
Exact Mass139.06
IUPAC Nameazane;carbamic acid;carbon dioxide
SMILESN.N.NC(=O)O.O=C=O
InChIInChI=1S/CH3NO2.CO2.2H3N/c2-1(3)4;2-1-3;;/h2H2,(H,3,4);;2*1H3
InChIKeySHAFCDFARLVBLG-UHFFFAOYSA-N
XLogP-0.64
TPSA167.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze azane;carbamic acid;carbon dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;carbon dioxide;methane;urea;hydrate
CID 157439733
azane;carbamic acid;ethene
CID 173074759
carbamic acid;copper
CID 87387020
carbamic acid;yttrium
CID 20702274
carbamic acid;plumbane
CID 173013217
carbamic acid;cobalt
CID 87314881
carbamic acid;iridium
CID 58983452
carbamic acid;indigane
CID 174683885
carbamic acid fluoride
CID 169488270
carbamic acid;nickel(2+);sulfanide
CID 175324677
carbamic acid;formaldehyde
CID 173133375
Carbamic acid--silanol (1/1)
CID 78063810

Frequently Asked Questions

What is the IUPAC name of azane;carbamic acid;carbon dioxide?
The IUPAC name of azane;carbamic acid;carbon dioxide (CID 173237577) is azane;carbamic acid;carbon dioxide.
What is the SMILES notation for azane;carbamic acid;carbon dioxide?
The canonical SMILES for azane;carbamic acid;carbon dioxide is N.N.NC(=O)O.O=C=O.
What is the InChIKey of azane;carbamic acid;carbon dioxide?
The InChIKey is SHAFCDFARLVBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NO2.CO2.2H3N/c2-1(3)4;2-1-3;;/h2H2,(H,3,4);;2*1H3.
What are the key properties of azane;carbamic acid;carbon dioxide?
azane;carbamic acid;carbon dioxide has a molecular weight of 139.11 g/mol, XLogP of -0.64, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;carbamic acid;carbon dioxide is sourced from PubChem (CID 173237577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).