azanium urea

CH8N3O+ — CID 22635082

IUPACazanium urea
SMILESNC(N)=O.[NH4+]
InChIInChI=1S/CH4N2O.H3N/c2-1(3)4;/h(H4,2,3,4);1H3/p+1
InChIKeyPPBAJDRXASKAGH-UHFFFAOYSA-O
MW78.09 g/mol
LogP-0.60
Rot. Bonds

About azanium urea

azanium urea (PubChem CID 22635082) has the molecular formula CH8N3O+ and a molecular weight of 78.09 g/mol. Its IUPAC name is azanium urea.

Molecular Properties

Compound Nameazanium urea
PubChem CID22635082
Molecular FormulaCH8N3O+
Molecular Weight78.09 g/mol
Exact Mass78.07
IUPAC Nameazanium urea
SMILESNC(N)=O.[NH4+]
InChIInChI=1S/CH4N2O.H3N/c2-1(3)4;/h(H4,2,3,4);1H3/p+1
InChIKeyPPBAJDRXASKAGH-UHFFFAOYSA-O
XLogP-0.60
TPSA105.61 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.09
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azanium urea?
The IUPAC name of azanium urea (CID 22635082) is azanium urea.
What is the SMILES notation for azanium urea?
The canonical SMILES for azanium urea is NC(N)=O.[NH4+].
What is the InChIKey of azanium urea?
The InChIKey is PPBAJDRXASKAGH-UHFFFAOYSA-O. The full InChI is InChI=1S/CH4N2O.H3N/c2-1(3)4;/h(H4,2,3,4);1H3/p+1.
What are the key properties of azanium urea?
azanium urea has a molecular weight of 78.09 g/mol, XLogP of -0.60, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azanium urea is sourced from PubChem (CID 22635082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).