ethane;5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;ruthenium(1+)

C5H10N3ORu — CID 166553567

IUPACethane;5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;ruthenium(1+)
SMILESCC.Cc1n[n-]c(=O)[nH]1.[Ru+]
InChIInChI=1S/C3H5N3O.C2H6.Ru/c1-2-4-3(7)6-5-2;1-2;/h1H3,(H2,4,5,6,7);1-2H3;/q;;+1/p-1
InChIKeyDKUYYSSAQYKKOS-UHFFFAOYSA-M
MW229.22 g/mol
LogP0.06
Rot. Bonds

About ethane;5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;ruthenium(1+)

ethane;5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;ruthenium(1+) (PubChem CID 166553567) has the molecular formula C5H10N3ORu and a molecular weight of 229.22 g/mol. Its IUPAC name is ethane;5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;ruthenium(1+).

Molecular Properties

Compound Nameethane;5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;ruthenium(1+)
PubChem CID166553567
Molecular FormulaC5H10N3ORu
Molecular Weight229.22 g/mol
Exact Mass229.99
IUPAC Nameethane;5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;ruthenium(1+)
SMILESCC.Cc1n[n-]c(=O)[nH]1.[Ru+]
InChIInChI=1S/C3H5N3O.C2H6.Ru/c1-2-4-3(7)6-5-2;1-2;/h1H3,(H2,4,5,6,7);1-2H3;/q;;+1/p-1
InChIKeyDKUYYSSAQYKKOS-UHFFFAOYSA-M
XLogP0.06
TPSA59.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1H-1,2,4-triazol-3-ol
CID 135429738
3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,5-dimethyl-
CID 135541258
Ethane;3-methyl-1,4-dihydro-1,2,4-triazol-5-one
CID 141778858
2,5-dimethyl-4H-1,2,4-triazol-3-one;ethane
CID 141787205
3-Methyl-1,4-dihydro-1,2,4-triazol-5-one;molecular hydrogen
CID 141831916
Ethane;3-methyl-1,4-dihydro-1,2,4-triazol-5-one
CID 141831928
2-amino-5-methyl-4H-1,2,4-triazol-3-one
CID 142182325
Ethane;3-ethyl-1,4-dihydro-1,2,4-triazol-5-one
CID 143054658
5-Methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;rubidium(1+)
CID 144521912
3-Methyl-1,4-dihydro-1,2,4-triazol-1-ium-5-one
CID 149238695
3-Ethyl-1,4-dihydro-1,2,4-triazol-5-one;molecular hydrogen
CID 153544212
3-Methyl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride
CID 158714171

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;ruthenium(1+)?
The IUPAC name of ethane;5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;ruthenium(1+) (CID 166553567) is ethane;5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;ruthenium(1+).
What is the SMILES notation for ethane;5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;ruthenium(1+)?
The canonical SMILES for ethane;5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;ruthenium(1+) is CC.Cc1n[n-]c(=O)[nH]1.[Ru+].
What is the InChIKey of ethane;5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;ruthenium(1+)?
The InChIKey is DKUYYSSAQYKKOS-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5N3O.C2H6.Ru/c1-2-4-3(7)6-5-2;1-2;/h1H3,(H2,4,5,6,7);1-2H3;/q;;+1/p-1.
What are the key properties of ethane;5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;ruthenium(1+)?
ethane;5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;ruthenium(1+) has a molecular weight of 229.22 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;ruthenium(1+) is sourced from PubChem (CID 166553567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).