methanone;2-methylpropane;3-propylpyridazine;ruthenium(3+)

C13H21N2O2Ru — CID 169317298

IUPACmethanone;2-methylpropane;3-propylpyridazine;ruthenium(3+)
SMILESCCCc1cccnn1.C[C-](C)C.[CH-]=O.[CH-]=O.[Ru+3]
InChIInChI=1S/C7H10N2.C4H9.2CHO.Ru/c1-2-4-7-5-3-6-8-9-7;1-4(2)3;2*1-2;/h3,5-6H,2,4H2,1H3;1-3H3;2*1H;/q;3*-1;+3
InChIKeyKLUGUWVCBSFINI-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.50
Rot. Bonds2

About methanone;2-methylpropane;3-propylpyridazine;ruthenium(3+)

methanone;2-methylpropane;3-propylpyridazine;ruthenium(3+) (PubChem CID 169317298) has the molecular formula C13H21N2O2Ru and a molecular weight of 338.39 g/mol. Its IUPAC name is methanone;2-methylpropane;3-propylpyridazine;ruthenium(3+).

Molecular Properties

Compound Namemethanone;2-methylpropane;3-propylpyridazine;ruthenium(3+)
PubChem CID169317298
Molecular FormulaC13H21N2O2Ru
Molecular Weight338.39 g/mol
Exact Mass339.06
IUPAC Namemethanone;2-methylpropane;3-propylpyridazine;ruthenium(3+)
SMILESCCCc1cccnn1.C[C-](C)C.[CH-]=O.[CH-]=O.[Ru+3]
InChIInChI=1S/C7H10N2.C4H9.2CHO.Ru/c1-2-4-7-5-3-6-8-9-7;1-4(2)3;2*1-2;/h3,5-6H,2,4H2,1H3;1-3H3;2*1H;/q;3*-1;+3
InChIKeyKLUGUWVCBSFINI-UHFFFAOYSA-N
XLogP2.50
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze methanone;2-methylpropane;3-propylpyridazine;ruthenium(3+) with MolForge

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

Launch Full Analysis

Related Compounds

3-butylpyridazine;hydrochloride
CID 121232273
ethanesulfonic acid;2-pyridazin-3-ylethanol
CID 158922440
ethanesulfinic acid;2-pyridazin-3-ylethanol
CID 175574452
3-pentylpyridazine;piperazine
CID 69210510
3-(ethoxymethyl)pyridazine
CID 68982284
3-propylpyridazine
CID 90878505
N-methyl-N-(pyridazin-3-ylmethyl)ethanamine
CID 70660670
2-(ethylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896183
1-ethyl-3-(pyridazin-3-ylmethyl)thiourea
CID 106831708
N-propyl-1-pyridazin-3-ylpropan-2-amine
CID 63200569
2-pyridazin-3-yl-N-(trifluoromethyl)ethanamine
CID 175063971
2-propylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895805

Frequently Asked Questions

What is the IUPAC name of methanone;2-methylpropane;3-propylpyridazine;ruthenium(3+)?
The IUPAC name of methanone;2-methylpropane;3-propylpyridazine;ruthenium(3+) (CID 169317298) is methanone;2-methylpropane;3-propylpyridazine;ruthenium(3+).
What is the SMILES notation for methanone;2-methylpropane;3-propylpyridazine;ruthenium(3+)?
The canonical SMILES for methanone;2-methylpropane;3-propylpyridazine;ruthenium(3+) is CCCc1cccnn1.C[C-](C)C.[CH-]=O.[CH-]=O.[Ru+3].
What is the InChIKey of methanone;2-methylpropane;3-propylpyridazine;ruthenium(3+)?
The InChIKey is KLUGUWVCBSFINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C4H9.2CHO.Ru/c1-2-4-7-5-3-6-8-9-7;1-4(2)3;2*1-2;/h3,5-6H,2,4H2,1H3;1-3H3;2*1H;/q;3*-1;+3.
What are the key properties of methanone;2-methylpropane;3-propylpyridazine;ruthenium(3+)?
methanone;2-methylpropane;3-propylpyridazine;ruthenium(3+) has a molecular weight of 338.39 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanone;2-methylpropane;3-propylpyridazine;ruthenium(3+) is sourced from PubChem (CID 169317298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).