azane;urea

CH7N3O — CID 22227373

IUPACazane;urea
SMILESN.NC(N)=O
InChIInChI=1S/CH4N2O.H3N/c2-1(3)4;/h(H4,2,3,4);1H3
InChIKeyPPBAJDRXASKAGH-UHFFFAOYSA-N
MW77.09 g/mol
LogP-0.81
Rot. Bonds

About azane;urea

azane;urea (PubChem CID 22227373) has the molecular formula CH7N3O and a molecular weight of 77.09 g/mol. Its IUPAC name is azane;urea.

Molecular Properties

Compound Nameazane;urea
PubChem CID22227373
Molecular FormulaCH7N3O
Molecular Weight77.09 g/mol
Exact Mass77.06
IUPAC Nameazane;urea
SMILESN.NC(N)=O
InChIInChI=1S/CH4N2O.H3N/c2-1(3)4;/h(H4,2,3,4);1H3
InChIKeyPPBAJDRXASKAGH-UHFFFAOYSA-N
XLogP-0.81
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.09
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze azane;urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azane;urea?
The IUPAC name of azane;urea (CID 22227373) is azane;urea.
What is the SMILES notation for azane;urea?
The canonical SMILES for azane;urea is N.NC(N)=O.
What is the InChIKey of azane;urea?
The InChIKey is PPBAJDRXASKAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O.H3N/c2-1(3)4;/h(H4,2,3,4);1H3.
What are the key properties of azane;urea?
azane;urea has a molecular weight of 77.09 g/mol, XLogP of -0.81, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;urea is sourced from PubChem (CID 22227373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).