azanide;1,9-dihydropurin-6-one;ruthenium(8+);chloride

C5H14ClN9ORu+2 — CID 138986802

IUPACazanide;1,9-dihydropurin-6-one;ruthenium(8+);chloride
SMILESO=c1[nH]cnc2[nH]cnc12.[Cl-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[Ru+8]
InChIInChI=1S/C5H4N4O.ClH.5H2N.Ru/c10-5-3-4(7-1-6-3)8-2-9-5;;;;;;;/h1-2H,(H2,6,7,8,9,10);1H;5*1H2;/q;;5*-1;+8/p-1
InChIKeyUDUXDLNLMLYTRG-UHFFFAOYSA-M
MW352.75 g/mol
LogP0.23
Rot. Bonds

About azanide;1,9-dihydropurin-6-one;ruthenium(8+);chloride

azanide;1,9-dihydropurin-6-one;ruthenium(8+);chloride (PubChem CID 138986802) has the molecular formula C5H14ClN9ORu+2 and a molecular weight of 352.75 g/mol. Its IUPAC name is azanide;1,9-dihydropurin-6-one;ruthenium(8+);chloride.

Molecular Properties

Compound Nameazanide;1,9-dihydropurin-6-one;ruthenium(8+);chloride
PubChem CID138986802
Molecular FormulaC5H14ClN9ORu+2
Molecular Weight352.75 g/mol
Exact Mass353.00
IUPAC Nameazanide;1,9-dihydropurin-6-one;ruthenium(8+);chloride
SMILESO=c1[nH]cnc2[nH]cnc12.[Cl-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[Ru+8]
InChIInChI=1S/C5H4N4O.ClH.5H2N.Ru/c10-5-3-4(7-1-6-3)8-2-9-5;;;;;;;/h1-2H,(H2,6,7,8,9,10);1H;5*1H2;/q;;5*-1;+8/p-1
InChIKeyUDUXDLNLMLYTRG-UHFFFAOYSA-M
XLogP0.23
TPSA241.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.75
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3,4-dione
CID 135703347
2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one
CID 135410720
6,8-dichloro-3H-pyrido[3,2-d]pyrimidin-4-one
CID 168877692
6H-[1,2]oxazolo[4,5-d]pyrimidine-3,7-dione
CID 137175920
1,7-dihydropurin-6-one
CID 135546991
CID 135618481
CID 135618481
5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135741818
8-(methylaminomethyl)-3H-pyrido[3,4-d]pyrimidin-4-one
CID 138511709
azane;1,7-dihydropurin-6-one
CID 158320966
4-oxo-3H-pyrido[3,4-d]pyrimidine-8-carboxylic acid
CID 163272160
6,7,8-trimethyl-3H-quinazolin-4-one
CID 137284029
3-methyl-6H-pyrimido[5,4-e][1,2,4]triazin-5-one
CID 135460323

Frequently Asked Questions

What is the IUPAC name of azanide;1,9-dihydropurin-6-one;ruthenium(8+);chloride?
The IUPAC name of azanide;1,9-dihydropurin-6-one;ruthenium(8+);chloride (CID 138986802) is azanide;1,9-dihydropurin-6-one;ruthenium(8+);chloride.
What is the SMILES notation for azanide;1,9-dihydropurin-6-one;ruthenium(8+);chloride?
The canonical SMILES for azanide;1,9-dihydropurin-6-one;ruthenium(8+);chloride is O=c1[nH]cnc2[nH]cnc12.[Cl-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[Ru+8].
What is the InChIKey of azanide;1,9-dihydropurin-6-one;ruthenium(8+);chloride?
The InChIKey is UDUXDLNLMLYTRG-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4N4O.ClH.5H2N.Ru/c10-5-3-4(7-1-6-3)8-2-9-5;;;;;;;/h1-2H,(H2,6,7,8,9,10);1H;5*1H2;/q;;5*-1;+8/p-1.
What are the key properties of azanide;1,9-dihydropurin-6-one;ruthenium(8+);chloride?
azanide;1,9-dihydropurin-6-one;ruthenium(8+);chloride has a molecular weight of 352.75 g/mol, XLogP of 0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;1,9-dihydropurin-6-one;ruthenium(8+);chloride is sourced from PubChem (CID 138986802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).