oxaldehyde;oxaldehydic acid;1,3,5-triazine-2,4,6-triamine

C7H10N6O5 — CID 162036244

IUPACoxaldehyde;oxaldehydic acid;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=CC(=O)O.O=CC=O
InChIInChI=1S/C3H6N6.C2H2O3.C2H2O2/c4-1-7-2(5)9-3(6)8-1;3-1-2(4)5;3-1-2-4/h(H6,4,5,6,7,8,9);1H,(H,4,5);1-2H
InChIKeyYWRJQSPVELHMEY-UHFFFAOYSA-N
MW258.19 g/mol
LogP-2.73
Rot. Bonds2

About oxaldehyde;oxaldehydic acid;1,3,5-triazine-2,4,6-triamine

oxaldehyde;oxaldehydic acid;1,3,5-triazine-2,4,6-triamine (PubChem CID 162036244) has the molecular formula C7H10N6O5 and a molecular weight of 258.19 g/mol. Its IUPAC name is oxaldehyde;oxaldehydic acid;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameoxaldehyde;oxaldehydic acid;1,3,5-triazine-2,4,6-triamine
PubChem CID162036244
Molecular FormulaC7H10N6O5
Molecular Weight258.19 g/mol
Exact Mass258.07
IUPAC Nameoxaldehyde;oxaldehydic acid;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=CC(=O)O.O=CC=O
InChIInChI=1S/C3H6N6.C2H2O3.C2H2O2/c4-1-7-2(5)9-3(6)8-1;3-1-2(4)5;3-1-2-4/h(H6,4,5,6,7,8,9);1H,(H,4,5);1-2H
InChIKeyYWRJQSPVELHMEY-UHFFFAOYSA-N
XLogP-2.73
TPSA205.24 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 5-2.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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
2-Hydroxyacetic acid;methoxymethane;1,3,5-triazine-2,4,6-triamine
CID 70523701
Acetic acid;1,3,5-triazine-2,4,6-triamine
CID 85726043
Melamine Dimethoxyethanal Glyoxylic Acid
CID 131729933
Oxaldehydic acid;1,3,5-triazine-2,4,6-triamine;urea
CID 155068487
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
2-Hydroxyacetaldehyde;1,3,5-triazine-2,4,6-triamine
CID 159481528
Oxaldehydic acid;1,3,5-triazine-2,4,6-triamine
CID 159515506

Frequently Asked Questions

What is the IUPAC name of oxaldehyde;oxaldehydic acid;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of oxaldehyde;oxaldehydic acid;1,3,5-triazine-2,4,6-triamine (CID 162036244) is oxaldehyde;oxaldehydic acid;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for oxaldehyde;oxaldehydic acid;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for oxaldehyde;oxaldehydic acid;1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(N)n1.O=CC(=O)O.O=CC=O.
What is the InChIKey of oxaldehyde;oxaldehydic acid;1,3,5-triazine-2,4,6-triamine?
The InChIKey is YWRJQSPVELHMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C2H2O3.C2H2O2/c4-1-7-2(5)9-3(6)8-1;3-1-2(4)5;3-1-2-4/h(H6,4,5,6,7,8,9);1H,(H,4,5);1-2H.
What are the key properties of oxaldehyde;oxaldehydic acid;1,3,5-triazine-2,4,6-triamine?
oxaldehyde;oxaldehydic acid;1,3,5-triazine-2,4,6-triamine has a molecular weight of 258.19 g/mol, XLogP of -2.73, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for oxaldehyde;oxaldehydic acid;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 162036244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).