bis(1-methylpyrazole);ruthenium(3+)

C8H12N4Ru+3 — CID 5123364

IUPACbis(1-methylpyrazole);ruthenium(3+)
SMILESCn1cccn1.Cn1cccn1.[Ru+3]
InChIInChI=1S/2C4H6N2.Ru/c2*1-6-4-2-3-5-6;/h2*2-4H,1H3;/q;;+3
InChIKeyYMZGPVURPSSNIC-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.84
Rot. Bonds

About bis(1-methylpyrazole);ruthenium(3+)

bis(1-methylpyrazole);ruthenium(3+) (PubChem CID 5123364) has the molecular formula C8H12N4Ru+3 and a molecular weight of 265.28 g/mol. Its IUPAC name is bis(1-methylpyrazole);ruthenium(3+).

Molecular Properties

Compound Namebis(1-methylpyrazole);ruthenium(3+)
PubChem CID5123364
Molecular FormulaC8H12N4Ru+3
Molecular Weight265.28 g/mol
Exact Mass266.01
IUPAC Namebis(1-methylpyrazole);ruthenium(3+)
SMILESCn1cccn1.Cn1cccn1.[Ru+3]
InChIInChI=1S/2C4H6N2.Ru/c2*1-6-4-2-3-5-6;/h2*2-4H,1H3;/q;;+3
InChIKeyYMZGPVURPSSNIC-UHFFFAOYSA-N
XLogP0.84
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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bis(2,2-dimethylpropane);ethane;methane;1-methylpyrazole;1,2-oxazole
CID 161360048
methane;2-methylindazole;1-methylpyrazole
CID 160697576
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CID 170573695
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1,1-dichloro-4-ethoxybut-3-en-2-one;1-methylpyrazole
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CID 69264149
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CID 123685072
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Frequently Asked Questions

What is the IUPAC name of bis(1-methylpyrazole);ruthenium(3+)?
The IUPAC name of bis(1-methylpyrazole);ruthenium(3+) (CID 5123364) is bis(1-methylpyrazole);ruthenium(3+).
What is the SMILES notation for bis(1-methylpyrazole);ruthenium(3+)?
The canonical SMILES for bis(1-methylpyrazole);ruthenium(3+) is Cn1cccn1.Cn1cccn1.[Ru+3].
What is the InChIKey of bis(1-methylpyrazole);ruthenium(3+)?
The InChIKey is YMZGPVURPSSNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6N2.Ru/c2*1-6-4-2-3-5-6;/h2*2-4H,1H3;/q;;+3.
What are the key properties of bis(1-methylpyrazole);ruthenium(3+)?
bis(1-methylpyrazole);ruthenium(3+) has a molecular weight of 265.28 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methylpyrazole);ruthenium(3+) is sourced from PubChem (CID 5123364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).