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

C5H8N6O3 — CID 159515506

IUPACoxaldehydic acid;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=CC(=O)O
InChIInChI=1S/C3H6N6.C2H2O3/c4-1-7-2(5)9-3(6)8-1;3-1-2(4)5/h(H6,4,5,6,7,8,9);1H,(H,4,5)
InChIKeyMBDJEFWNUYHRHQ-UHFFFAOYSA-N
MW200.16 g/mol
LogP-2.11
Rot. Bonds1

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

oxaldehydic acid;1,3,5-triazine-2,4,6-triamine (PubChem CID 159515506) has the molecular formula C5H8N6O3 and a molecular weight of 200.16 g/mol. Its IUPAC name is oxaldehydic acid;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameoxaldehydic acid;1,3,5-triazine-2,4,6-triamine
PubChem CID159515506
Molecular FormulaC5H8N6O3
Molecular Weight200.16 g/mol
Exact Mass200.07
IUPAC Nameoxaldehydic acid;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=CC(=O)O
InChIInChI=1S/C3H6N6.C2H2O3/c4-1-7-2(5)9-3(6)8-1;3-1-2(4)5/h(H6,4,5,6,7,8,9);1H,(H,4,5)
InChIKeyMBDJEFWNUYHRHQ-UHFFFAOYSA-N
XLogP-2.11
TPSA171.10 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 5-2.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Acetic acid--1,3,5-triazine-2,4,6-triamine (1/1)
CID 68833760
Melamine glyoxal
CID 19836238
2-Methoxyacetic acid;1,3,5-triazine-2,4,6-triamine
CID 70523702
Oxaldehydic acid;1,3,5-triazine-2,4,6-triamine;urea
CID 155068487
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
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
Acetic acid;azane;1,3,5-triazine-2,4,6-triamine
CID 174848447
Acetic acid;methoxymethane;1,3,5-triazine-2,4,6-triamine
CID 175210382

Frequently Asked Questions

What is the IUPAC name of oxaldehydic acid;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of oxaldehydic acid;1,3,5-triazine-2,4,6-triamine (CID 159515506) is oxaldehydic acid;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for oxaldehydic acid;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for oxaldehydic acid;1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(N)n1.O=CC(=O)O.
What is the InChIKey of oxaldehydic acid;1,3,5-triazine-2,4,6-triamine?
The InChIKey is MBDJEFWNUYHRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C2H2O3/c4-1-7-2(5)9-3(6)8-1;3-1-2(4)5/h(H6,4,5,6,7,8,9);1H,(H,4,5).
What are the key properties of oxaldehydic acid;1,3,5-triazine-2,4,6-triamine?
oxaldehydic acid;1,3,5-triazine-2,4,6-triamine has a molecular weight of 200.16 g/mol, XLogP of -2.11, 1 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for oxaldehydic acid;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 159515506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).