barium(2+);hydride;iron;manganese;titanium

H2BaFeMnTi — CID 175028044

IUPACbarium(2+);hydride;iron;manganese;titanium
SMILES[Ba+2].[Fe].[H-].[H-].[Mn].[Ti]
InChIInChI=1S/Ba.Fe.Mn.Ti.2H/q+2;;;;2*-1
InChIKeyYYZCOIUHBZPGQN-UHFFFAOYSA-N
MW297.99 g/mol
LogP-0.16
Rot. Bonds

About barium(2+);hydride;iron;manganese;titanium

barium(2+);hydride;iron;manganese;titanium (PubChem CID 175028044) has the molecular formula H2BaFeMnTi and a molecular weight of 297.99 g/mol. Its IUPAC name is barium(2+);hydride;iron;manganese;titanium.

Molecular Properties

Compound Namebarium(2+);hydride;iron;manganese;titanium
PubChem CID175028044
Molecular FormulaH2BaFeMnTi
Molecular Weight297.99 g/mol
Exact Mass298.74
IUPAC Namebarium(2+);hydride;iron;manganese;titanium
SMILES[Ba+2].[Fe].[H-].[H-].[Mn].[Ti]
InChIInChI=1S/Ba.Fe.Mn.Ti.2H/q+2;;;;2*-1
InChIKeyYYZCOIUHBZPGQN-UHFFFAOYSA-N
XLogP-0.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.99
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 173368443
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CID 172698374
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CID 175168266
barium(2+);hydride;lanthanum;manganese;hydrate
CID 174499184
calcium;hydride;iron;titanium;vanadium
CID 174693696
sodium;barium(2+);hydride;titanium;hydrate
CID 173159324
alumane;barium(2+);hydride;titanium;tetrahydrate
CID 173431257
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CID 173324714

Frequently Asked Questions

What is the IUPAC name of barium(2+);hydride;iron;manganese;titanium?
The IUPAC name of barium(2+);hydride;iron;manganese;titanium (CID 175028044) is barium(2+);hydride;iron;manganese;titanium.
What is the SMILES notation for barium(2+);hydride;iron;manganese;titanium?
The canonical SMILES for barium(2+);hydride;iron;manganese;titanium is [Ba+2].[Fe].[H-].[H-].[Mn].[Ti].
What is the InChIKey of barium(2+);hydride;iron;manganese;titanium?
The InChIKey is YYZCOIUHBZPGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.Fe.Mn.Ti.2H/q+2;;;;2*-1.
What are the key properties of barium(2+);hydride;iron;manganese;titanium?
barium(2+);hydride;iron;manganese;titanium has a molecular weight of 297.99 g/mol, XLogP of -0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);hydride;iron;manganese;titanium is sourced from PubChem (CID 175028044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).