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

C6H12N8O3 — CID 158889830

IUPACoxaldehyde;1,3,5-triazine-2,4,6-triamine;urea
SMILESNC(N)=O.Nc1nc(N)nc(N)n1.O=CC=O
InChIInChI=1S/C3H6N6.C2H2O2.CH4N2O/c4-1-7-2(5)9-3(6)8-1;3-1-2-4;2-1(3)4/h(H6,4,5,6,7,8,9);1-2H;(H4,2,3,4)
InChIKeyJEBXMGQRCQXFJB-UHFFFAOYSA-N
MW244.22 g/mol
LogP-2.97
Rot. Bonds1

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

oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea (PubChem CID 158889830) has the molecular formula C6H12N8O3 and a molecular weight of 244.22 g/mol. Its IUPAC name is oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea.

Molecular Properties

Compound Nameoxaldehyde;1,3,5-triazine-2,4,6-triamine;urea
PubChem CID158889830
Molecular FormulaC6H12N8O3
Molecular Weight244.22 g/mol
Exact Mass244.10
IUPAC Nameoxaldehyde;1,3,5-triazine-2,4,6-triamine;urea
SMILESNC(N)=O.Nc1nc(N)nc(N)n1.O=CC=O
InChIInChI=1S/C3H6N6.C2H2O2.CH4N2O/c4-1-7-2(5)9-3(6)8-1;3-1-2-4;2-1(3)4/h(H6,4,5,6,7,8,9);1-2H;(H4,2,3,4)
InChIKeyJEBXMGQRCQXFJB-UHFFFAOYSA-N
XLogP-2.97
TPSA219.98 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 5-2.97
H-Bond Donors ≤ 55
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

Urea, polymer with formaldehyde and 1,3,5-triazine-2,4,6-triamine
CID 168250
Formaldehyde;1,3,5-triazine-2,4,6-triamine;urea;hydrochloride
CID 6454242
Melamine glyoxal
CID 19836238
Azane;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea
CID 20291609
Formaldehyde;1,3,5-triazine-2,4,6-triamine;urea
CID 20536165
Acetaldehyde;1,3,5-triazine-2,4,6-triamine
CID 89157509
Oxaldehydic acid;1,3,5-triazine-2,4,6-triamine;urea
CID 155068487
Formaldehyde;oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea
CID 157451642
Acetaldehyde;1,3,5-triazine-2,4,6-triamine
CID 157760702
Butanal;1,3,5-triazine-2,4,6-triamine
CID 158433749
Formaldehyde;1,3,5-triazine-2,4,6-triamine;urea
CID 159302124
2-Hydroxyacetaldehyde;1,3,5-triazine-2,4,6-triamine
CID 159481528

Frequently Asked Questions

What is the IUPAC name of oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea?
The IUPAC name of oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea (CID 158889830) is oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea.
What is the SMILES notation for oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea?
The canonical SMILES for oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea is NC(N)=O.Nc1nc(N)nc(N)n1.O=CC=O.
What is the InChIKey of oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea?
The InChIKey is JEBXMGQRCQXFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C2H2O2.CH4N2O/c4-1-7-2(5)9-3(6)8-1;3-1-2-4;2-1(3)4/h(H6,4,5,6,7,8,9);1-2H;(H4,2,3,4).
What are the key properties of oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea?
oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea has a molecular weight of 244.22 g/mol, XLogP of -2.97, 1 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea is sourced from PubChem (CID 158889830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).