2-hydroxyacetaldehyde;1,3,5-triazine-2,4,6-triamine

C5H10N6O2 — CID 159481528

IUPAC2-hydroxyacetaldehyde;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=CCO
InChIInChI=1S/C3H6N6.C2H4O2/c4-1-7-2(5)9-3(6)8-1;3-1-2-4/h(H6,4,5,6,7,8,9);1,4H,2H2
InChIKeyLXBHUEAPXFUMLT-UHFFFAOYSA-N
MW186.18 g/mol
LogP-2.20
Rot. Bonds1

About 2-hydroxyacetaldehyde;1,3,5-triazine-2,4,6-triamine

2-hydroxyacetaldehyde;1,3,5-triazine-2,4,6-triamine (PubChem CID 159481528) has the molecular formula C5H10N6O2 and a molecular weight of 186.18 g/mol. Its IUPAC name is 2-hydroxyacetaldehyde;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-hydroxyacetaldehyde;1,3,5-triazine-2,4,6-triamine
PubChem CID159481528
Molecular FormulaC5H10N6O2
Molecular Weight186.18 g/mol
Exact Mass186.09
IUPAC Name2-hydroxyacetaldehyde;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=CCO
InChIInChI=1S/C3H6N6.C2H4O2/c4-1-7-2(5)9-3(6)8-1;3-1-2-4/h(H6,4,5,6,7,8,9);1,4H,2H2
InChIKeyLXBHUEAPXFUMLT-UHFFFAOYSA-N
XLogP-2.20
TPSA154.03 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 5-2.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Melamine glyoxal
CID 19836238
Ethane-1,2-diol;formaldehyde;1,3,5-triazine-2,4,6-triamine
CID 156299231
Ethanol;formaldehyde;methanol;1,3,5-triazine-2,4,6-triamine
CID 19765947
Ethanol;formaldehyde;1,3,5-triazine-2,4,6-triamine
CID 20485953
Acetaldehyde;1,3,5-triazine-2,4,6-triamine
CID 89157509
Oxaldehydic acid;1,3,5-triazine-2,4,6-triamine;urea
CID 155068487
Oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea
CID 158889830
2-Hydroxyacetic acid;1,3,5-triazine-2,4,6-triamine
CID 159375275
Oxaldehydic acid;1,3,5-triazine-2,4,6-triamine
CID 159515506
Formaldehyde;oxaldehyde;1,3,5-triazine-2,4,6-triamine
CID 160077978
2-Methoxyacetaldehyde;1,3,5-triazine-2,4,6-triamine
CID 160474165
Oxaldehyde;oxaldehydic acid;1,3,5-triazine-2,4,6-triamine
CID 162036244

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetaldehyde;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-hydroxyacetaldehyde;1,3,5-triazine-2,4,6-triamine (CID 159481528) is 2-hydroxyacetaldehyde;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-hydroxyacetaldehyde;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-hydroxyacetaldehyde;1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(N)n1.O=CCO.
What is the InChIKey of 2-hydroxyacetaldehyde;1,3,5-triazine-2,4,6-triamine?
The InChIKey is LXBHUEAPXFUMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C2H4O2/c4-1-7-2(5)9-3(6)8-1;3-1-2-4/h(H6,4,5,6,7,8,9);1,4H,2H2.
What are the key properties of 2-hydroxyacetaldehyde;1,3,5-triazine-2,4,6-triamine?
2-hydroxyacetaldehyde;1,3,5-triazine-2,4,6-triamine has a molecular weight of 186.18 g/mol, XLogP of -2.20, 1 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetaldehyde;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 159481528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).