cobalt;oxalic acid;1,3,5-triazine-2,4,6-triamine

C5H8CoN6O4 — CID 174973471

IUPACcobalt;oxalic acid;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=C(O)C(=O)O.[Co]
InChIInChI=1S/C3H6N6.C2H2O4.Co/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);
InChIKeyZLNIXZLQFZDICE-UHFFFAOYSA-N
MW275.09 g/mol
LogP-2.23
Rot. Bonds

About cobalt;oxalic acid;1,3,5-triazine-2,4,6-triamine

cobalt;oxalic acid;1,3,5-triazine-2,4,6-triamine (PubChem CID 174973471) has the molecular formula C5H8CoN6O4 and a molecular weight of 275.09 g/mol. Its IUPAC name is cobalt;oxalic acid;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namecobalt;oxalic acid;1,3,5-triazine-2,4,6-triamine
PubChem CID174973471
Molecular FormulaC5H8CoN6O4
Molecular Weight275.09 g/mol
Exact Mass274.99
IUPAC Namecobalt;oxalic acid;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=C(O)C(=O)O.[Co]
InChIInChI=1S/C3H6N6.C2H2O4.Co/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);
InChIKeyZLNIXZLQFZDICE-UHFFFAOYSA-N
XLogP-2.23
TPSA191.33 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 5-2.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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
Di(1,3,5-triazine-2,4,6-triamine) oxalate
CID 53470868
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
Dihydroxy(dioxo)molybdenum;oxalic acid;1,3,5-triazine-2,4,6-triamine
CID 88823188
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;methane;oxalic acid;1,3,5-triazine-2,4,6-triamine;urea
CID 159977811
Azane;carbon dioxide;oxalic acid;1,3,5-triazine-2,4,6-triamine;urea
CID 160357481

Frequently Asked Questions

What is the IUPAC name of cobalt;oxalic acid;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of cobalt;oxalic acid;1,3,5-triazine-2,4,6-triamine (CID 174973471) is cobalt;oxalic acid;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for cobalt;oxalic acid;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for cobalt;oxalic acid;1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(N)n1.O=C(O)C(=O)O.[Co].
What is the InChIKey of cobalt;oxalic acid;1,3,5-triazine-2,4,6-triamine?
The InChIKey is ZLNIXZLQFZDICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C2H2O4.Co/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);.
What are the key properties of cobalt;oxalic acid;1,3,5-triazine-2,4,6-triamine?
cobalt;oxalic acid;1,3,5-triazine-2,4,6-triamine has a molecular weight of 275.09 g/mol, XLogP of -2.23, 0 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;oxalic acid;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 174973471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).