barium(2+);urea

CH4BaN2O+2 — CID 22402807

IUPACbarium(2+);urea
SMILESNC(N)=O.[Ba+2]
InChIInChI=1S/CH4N2O.Ba/c2-1(3)4;/h(H4,2,3,4);/q;+2
InChIKeyMTVLQDSYOPJFNG-UHFFFAOYSA-N
MW197.38 g/mol
LogP-1.36
Rot. Bonds

About barium(2+);urea

barium(2+);urea (PubChem CID 22402807) has the molecular formula CH4BaN2O+2 and a molecular weight of 197.38 g/mol. Its IUPAC name is barium(2+);urea.

Molecular Properties

Compound Namebarium(2+);urea
PubChem CID22402807
Molecular FormulaCH4BaN2O+2
Molecular Weight197.38 g/mol
Exact Mass197.94
IUPAC Namebarium(2+);urea
SMILESNC(N)=O.[Ba+2]
InChIInChI=1S/CH4N2O.Ba/c2-1(3)4;/h(H4,2,3,4);/q;+2
InChIKeyMTVLQDSYOPJFNG-UHFFFAOYSA-N
XLogP-1.36
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.38
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of barium(2+);urea?
The IUPAC name of barium(2+);urea (CID 22402807) is barium(2+);urea.
What is the SMILES notation for barium(2+);urea?
The canonical SMILES for barium(2+);urea is NC(N)=O.[Ba+2].
What is the InChIKey of barium(2+);urea?
The InChIKey is MTVLQDSYOPJFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O.Ba/c2-1(3)4;/h(H4,2,3,4);/q;+2.
What are the key properties of barium(2+);urea?
barium(2+);urea has a molecular weight of 197.38 g/mol, XLogP of -1.36, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);urea is sourced from PubChem (CID 22402807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).