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

C6H12N8O4 — CID 155068487

IUPACoxaldehydic acid;1,3,5-triazine-2,4,6-triamine;urea
SMILESNC(N)=O.Nc1nc(N)nc(N)n1.O=CC(=O)O
InChIInChI=1S/C3H6N6.C2H2O3.CH4N2O/c4-1-7-2(5)9-3(6)8-1;3-1-2(4)5;2-1(3)4/h(H6,4,5,6,7,8,9);1H,(H,4,5);(H4,2,3,4)
InChIKeyVXIOXYSDAPHHFQ-UHFFFAOYSA-N
MW260.21 g/mol
LogP-3.09
Rot. Bonds1

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

oxaldehydic acid;1,3,5-triazine-2,4,6-triamine;urea (PubChem CID 155068487) has the molecular formula C6H12N8O4 and a molecular weight of 260.21 g/mol. Its IUPAC name is oxaldehydic acid;1,3,5-triazine-2,4,6-triamine;urea.

Molecular Properties

Compound Nameoxaldehydic acid;1,3,5-triazine-2,4,6-triamine;urea
PubChem CID155068487
Molecular FormulaC6H12N8O4
Molecular Weight260.21 g/mol
Exact Mass260.10
IUPAC Nameoxaldehydic acid;1,3,5-triazine-2,4,6-triamine;urea
SMILESNC(N)=O.Nc1nc(N)nc(N)n1.O=CC(=O)O
InChIInChI=1S/C3H6N6.C2H2O3.CH4N2O/c4-1-7-2(5)9-3(6)8-1;3-1-2(4)5;2-1(3)4/h(H6,4,5,6,7,8,9);1H,(H,4,5);(H4,2,3,4)
InChIKeyVXIOXYSDAPHHFQ-UHFFFAOYSA-N
XLogP-3.09
TPSA240.21 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.21
LogP ≤ 5-3.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

Formaldehyde;oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea
CID 157451642
Oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea
CID 158889830
Acetic acid;1,3,5-triazine-2,4,6-triamine;urea
CID 159069551
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
Oxaldehyde;oxaldehydic acid;1,3,5-triazine-2,4,6-triamine
CID 162036244

Frequently Asked Questions

What is the IUPAC name of oxaldehydic acid;1,3,5-triazine-2,4,6-triamine;urea?
The IUPAC name of oxaldehydic acid;1,3,5-triazine-2,4,6-triamine;urea (CID 155068487) is oxaldehydic acid;1,3,5-triazine-2,4,6-triamine;urea.
What is the SMILES notation for oxaldehydic acid;1,3,5-triazine-2,4,6-triamine;urea?
The canonical SMILES for oxaldehydic acid;1,3,5-triazine-2,4,6-triamine;urea is NC(N)=O.Nc1nc(N)nc(N)n1.O=CC(=O)O.
What is the InChIKey of oxaldehydic acid;1,3,5-triazine-2,4,6-triamine;urea?
The InChIKey is VXIOXYSDAPHHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C2H2O3.CH4N2O/c4-1-7-2(5)9-3(6)8-1;3-1-2(4)5;2-1(3)4/h(H6,4,5,6,7,8,9);1H,(H,4,5);(H4,2,3,4).
What are the key properties of oxaldehydic acid;1,3,5-triazine-2,4,6-triamine;urea?
oxaldehydic acid;1,3,5-triazine-2,4,6-triamine;urea has a molecular weight of 260.21 g/mol, XLogP of -3.09, 1 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for oxaldehydic acid;1,3,5-triazine-2,4,6-triamine;urea is sourced from PubChem (CID 155068487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).