dihydroxy(dioxo)molybdenum;oxalic acid;1,3,5-triazine-2,4,6-triamine

C5H10MoN6O8 — CID 88823188

IUPACdihydroxy(dioxo)molybdenum;oxalic acid;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=C(O)C(=O)O.O=[Mo](=O)(O)O
InChIInChI=1S/C3H6N6.C2H2O4.Mo.2H2O.2O/c4-1-7-2(5)9-3(6)8-1;3-1(4)2(5)6;;;;;/h(H6,4,5,6,7,8,9);(H,3,4)(H,5,6);;2*1H2;;/q;;+2;;;;/p-2
InChIKeyANJIVPUBOOEENP-UHFFFAOYSA-L
MW378.11 g/mol
LogP-3.58
Rot. Bonds

About dihydroxy(dioxo)molybdenum;oxalic acid;1,3,5-triazine-2,4,6-triamine

dihydroxy(dioxo)molybdenum;oxalic acid;1,3,5-triazine-2,4,6-triamine (PubChem CID 88823188) has the molecular formula C5H10MoN6O8 and a molecular weight of 378.11 g/mol. Its IUPAC name is dihydroxy(dioxo)molybdenum;oxalic acid;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namedihydroxy(dioxo)molybdenum;oxalic acid;1,3,5-triazine-2,4,6-triamine
PubChem CID88823188
Molecular FormulaC5H10MoN6O8
Molecular Weight378.11 g/mol
Exact Mass379.96
IUPAC Namedihydroxy(dioxo)molybdenum;oxalic acid;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=C(O)C(=O)O.O=[Mo](=O)(O)O
InChIInChI=1S/C3H6N6.C2H2O4.Mo.2H2O.2O/c4-1-7-2(5)9-3(6)8-1;3-1(4)2(5)6;;;;;/h(H6,4,5,6,7,8,9);(H,3,4)(H,5,6);;2*1H2;;/q;;+2;;;;/p-2
InChIKeyANJIVPUBOOEENP-UHFFFAOYSA-L
XLogP-3.58
TPSA265.93 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.11
LogP ≤ 5-3.58
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Triazine-2,4,6-triamine, ethanedioate (1:1)
CID 13685622
Melaminium(2+) di(hydrogen oxalate)
CID 139067331
1,3,5-Triazine-2,4,6-triamine monooxalate
CID 155001
Oxalic acid;phosphoric acid;1,3,5-triazine-2,4,6-triamine
CID 70518908
Copper;oxalate;1,3,5-triazine-2,4,6-triamine
CID 155143678
Copper(1+);2-hydroxy-2-oxoacetate;1,3,5-triazine-2,4,6-triamine
CID 155143679
Oxalic acid;1,3,5-triazine-2,4,6-triamine;dihydrate
CID 155619027
2-Hydroxyacetic acid;1,3,5-triazine-2,4,6-triamine
CID 159375275
Azane;carbon dioxide;oxalic acid;1,3,5-triazine-2,4,6-triamine;urea
CID 160357481
Copper;oxalate;1,3,5-triazine-2,4,6-triamine;dihydrate
CID 173887748
Copper(1+);2-hydroxy-2-oxoacetate;1,3,5-triazine-2,4,6-triamine;dihydrate
CID 173887749
Cobalt;oxalic acid;1,3,5-triazine-2,4,6-triamine
CID 174973471

Frequently Asked Questions

What is the IUPAC name of dihydroxy(dioxo)molybdenum;oxalic acid;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of dihydroxy(dioxo)molybdenum;oxalic acid;1,3,5-triazine-2,4,6-triamine (CID 88823188) is dihydroxy(dioxo)molybdenum;oxalic acid;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for dihydroxy(dioxo)molybdenum;oxalic acid;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for dihydroxy(dioxo)molybdenum;oxalic acid;1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(N)n1.O=C(O)C(=O)O.O=[Mo](=O)(O)O.
What is the InChIKey of dihydroxy(dioxo)molybdenum;oxalic acid;1,3,5-triazine-2,4,6-triamine?
The InChIKey is ANJIVPUBOOEENP-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H6N6.C2H2O4.Mo.2H2O.2O/c4-1-7-2(5)9-3(6)8-1;3-1(4)2(5)6;;;;;/h(H6,4,5,6,7,8,9);(H,3,4)(H,5,6);;2*1H2;;/q;;+2;;;;/p-2.
What are the key properties of dihydroxy(dioxo)molybdenum;oxalic acid;1,3,5-triazine-2,4,6-triamine?
dihydroxy(dioxo)molybdenum;oxalic acid;1,3,5-triazine-2,4,6-triamine has a molecular weight of 378.11 g/mol, XLogP of -3.58, 0 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(dioxo)molybdenum;oxalic acid;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 88823188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).