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

C8H18N8O3 — CID 162256321

IUPACethene;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea
SMILESC=C.C=O.C=O.NC(N)=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C2H4.CH4N2O.2CH2O/c4-1-7-2(5)9-3(6)8-1;1-2;2-1(3)4;2*1-2/h(H6,4,5,6,7,8,9);1-2H2;(H4,2,3,4);2*1H2
InChIKeyZYQIESTYDRFHHB-UHFFFAOYSA-N
MW274.29 g/mol
LogP-1.93
Rot. Bonds

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

ethene;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea (PubChem CID 162256321) has the molecular formula C8H18N8O3 and a molecular weight of 274.29 g/mol. Its IUPAC name is ethene;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea.

Molecular Properties

Compound Nameethene;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea
PubChem CID162256321
Molecular FormulaC8H18N8O3
Molecular Weight274.29 g/mol
Exact Mass274.15
IUPAC Nameethene;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea
SMILESC=C.C=O.C=O.NC(N)=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C2H4.CH4N2O.2CH2O/c4-1-7-2(5)9-3(6)8-1;1-2;2-1(3)4;2*1-2/h(H6,4,5,6,7,8,9);1-2H2;(H4,2,3,4);2*1H2
InChIKeyZYQIESTYDRFHHB-UHFFFAOYSA-N
XLogP-1.93
TPSA219.98 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 5-1.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea?
The IUPAC name of ethene;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea (CID 162256321) is ethene;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea.
What is the SMILES notation for ethene;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea?
The canonical SMILES for ethene;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea is C=C.C=O.C=O.NC(N)=O.Nc1nc(N)nc(N)n1.
What is the InChIKey of ethene;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea?
The InChIKey is ZYQIESTYDRFHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C2H4.CH4N2O.2CH2O/c4-1-7-2(5)9-3(6)8-1;1-2;2-1(3)4;2*1-2/h(H6,4,5,6,7,8,9);1-2H2;(H4,2,3,4);2*1H2.
What are the key properties of ethene;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea?
ethene;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea has a molecular weight of 274.29 g/mol, XLogP of -1.93, 0 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea is sourced from PubChem (CID 162256321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).