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

C7H14N8O4 — CID 157451642

IUPACformaldehyde;oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea
SMILESC=O.NC(N)=O.Nc1nc(N)nc(N)n1.O=CC=O
InChIInChI=1S/C3H6N6.C2H2O2.CH4N2O.CH2O/c4-1-7-2(5)9-3(6)8-1;3-1-2-4;2-1(3)4;1-2/h(H6,4,5,6,7,8,9);1-2H;(H4,2,3,4);1H2
InChIKeyBSWHABUWQKNQLS-UHFFFAOYSA-N
MW274.24 g/mol
LogP-3.16
Rot. Bonds1

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

formaldehyde;oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea (PubChem CID 157451642) has the molecular formula C7H14N8O4 and a molecular weight of 274.24 g/mol. Its IUPAC name is formaldehyde;oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea.

Molecular Properties

Compound Nameformaldehyde;oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea
PubChem CID157451642
Molecular FormulaC7H14N8O4
Molecular Weight274.24 g/mol
Exact Mass274.11
IUPAC Nameformaldehyde;oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea
SMILESC=O.NC(N)=O.Nc1nc(N)nc(N)n1.O=CC=O
InChIInChI=1S/C3H6N6.C2H2O2.CH4N2O.CH2O/c4-1-7-2(5)9-3(6)8-1;3-1-2-4;2-1(3)4;1-2/h(H6,4,5,6,7,8,9);1-2H;(H4,2,3,4);1H2
InChIKeyBSWHABUWQKNQLS-UHFFFAOYSA-N
XLogP-3.16
TPSA237.05 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 5-3.16
H-Bond Donors ≤ 55
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

Urea, polymer with formaldehyde and 1,3,5-triazine-2,4,6-triamine
CID 168250
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
Oxaldehyde;sulfuric acid;1,3,5-triazine-2,4,6-triamine
CID 88254228
Acetaldehyde;1,3,5-triazine-2,4,6-triamine
CID 89157509
Oxaldehydic acid;1,3,5-triazine-2,4,6-triamine;urea
CID 155068487
Acetaldehyde;1,3,5-triazine-2,4,6-triamine
CID 157760702
Oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea
CID 158889830
acetaldehyde;2-N,2-N-diamino-1,3,5-triazine-2,4,6-triamine
CID 159059968
Formaldehyde;oxaldehyde;bis(1,3,5-triazine-2,4,6-triamine);urea
CID 159893184
Formaldehyde;oxaldehyde;1,3,5-triazine-2,4,6-triamine
CID 160077978

Frequently Asked Questions

What is the IUPAC name of formaldehyde;oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea?
The IUPAC name of formaldehyde;oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea (CID 157451642) is formaldehyde;oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea.
What is the SMILES notation for formaldehyde;oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea?
The canonical SMILES for formaldehyde;oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea is C=O.NC(N)=O.Nc1nc(N)nc(N)n1.O=CC=O.
What is the InChIKey of formaldehyde;oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea?
The InChIKey is BSWHABUWQKNQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C2H2O2.CH4N2O.CH2O/c4-1-7-2(5)9-3(6)8-1;3-1-2-4;2-1(3)4;1-2/h(H6,4,5,6,7,8,9);1-2H;(H4,2,3,4);1H2.
What are the key properties of formaldehyde;oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea?
formaldehyde;oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea has a molecular weight of 274.24 g/mol, XLogP of -3.16, 1 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea is sourced from PubChem (CID 157451642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).