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

C10H20N14O4 — CID 159893184

IUPACformaldehyde;oxaldehyde;bis(1,3,5-triazine-2,4,6-triamine);urea
SMILESC=O.NC(N)=O.Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1.O=CC=O
InChIInChI=1S/2C3H6N6.C2H2O2.CH4N2O.CH2O/c2*4-1-7-2(5)9-3(6)8-1;3-1-2-4;2-1(3)4;1-2/h2*(H6,4,5,6,7,8,9);1-2H;(H4,2,3,4);1H2
InChIKeyNVAAMRXSYWBCKR-UHFFFAOYSA-N
MW400.36 g/mol
LogP-4.54
Rot. Bonds1

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

formaldehyde;oxaldehyde;bis(1,3,5-triazine-2,4,6-triamine);urea (PubChem CID 159893184) has the molecular formula C10H20N14O4 and a molecular weight of 400.36 g/mol. Its IUPAC name is formaldehyde;oxaldehyde;bis(1,3,5-triazine-2,4,6-triamine);urea.

Molecular Properties

Compound Nameformaldehyde;oxaldehyde;bis(1,3,5-triazine-2,4,6-triamine);urea
PubChem CID159893184
Molecular FormulaC10H20N14O4
Molecular Weight400.36 g/mol
Exact Mass400.18
IUPAC Nameformaldehyde;oxaldehyde;bis(1,3,5-triazine-2,4,6-triamine);urea
SMILESC=O.NC(N)=O.Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1.O=CC=O
InChIInChI=1S/2C3H6N6.C2H2O2.CH4N2O.CH2O/c2*4-1-7-2(5)9-3(6)8-1;3-1-2-4;2-1(3)4;1-2/h2*(H6,4,5,6,7,8,9);1-2H;(H4,2,3,4);1H2
InChIKeyNVAAMRXSYWBCKR-UHFFFAOYSA-N
XLogP-4.54
TPSA353.78 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500400.36
LogP ≤ 5-4.54
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;oxaldehyde;bis(1,3,5-triazine-2,4,6-triamine);urea?
The IUPAC name of formaldehyde;oxaldehyde;bis(1,3,5-triazine-2,4,6-triamine);urea (CID 159893184) is formaldehyde;oxaldehyde;bis(1,3,5-triazine-2,4,6-triamine);urea.
What is the SMILES notation for formaldehyde;oxaldehyde;bis(1,3,5-triazine-2,4,6-triamine);urea?
The canonical SMILES for formaldehyde;oxaldehyde;bis(1,3,5-triazine-2,4,6-triamine);urea is C=O.NC(N)=O.Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1.O=CC=O.
What is the InChIKey of formaldehyde;oxaldehyde;bis(1,3,5-triazine-2,4,6-triamine);urea?
The InChIKey is NVAAMRXSYWBCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6N6.C2H2O2.CH4N2O.CH2O/c2*4-1-7-2(5)9-3(6)8-1;3-1-2-4;2-1(3)4;1-2/h2*(H6,4,5,6,7,8,9);1-2H;(H4,2,3,4);1H2.
What are the key properties of formaldehyde;oxaldehyde;bis(1,3,5-triazine-2,4,6-triamine);urea?
formaldehyde;oxaldehyde;bis(1,3,5-triazine-2,4,6-triamine);urea has a molecular weight of 400.36 g/mol, XLogP of -4.54, 1 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;oxaldehyde;bis(1,3,5-triazine-2,4,6-triamine);urea is sourced from PubChem (CID 159893184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).