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

C6H14N8O — CID 70629470

IUPACethene;1,3,5-triazine-2,4,6-triamine;urea
SMILESC=C.NC(N)=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C2H4.CH4N2O/c4-1-7-2(5)9-3(6)8-1;1-2;2-1(3)4/h(H6,4,5,6,7,8,9);1-2H2;(H4,2,3,4)
InChIKeyKMYWIBWMTBYHIV-UHFFFAOYSA-N
MW214.23 g/mol
LogP-1.56
Rot. Bonds

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

ethene;1,3,5-triazine-2,4,6-triamine;urea (PubChem CID 70629470) has the molecular formula C6H14N8O and a molecular weight of 214.23 g/mol. Its IUPAC name is ethene;1,3,5-triazine-2,4,6-triamine;urea.

Molecular Properties

Compound Nameethene;1,3,5-triazine-2,4,6-triamine;urea
PubChem CID70629470
Molecular FormulaC6H14N8O
Molecular Weight214.23 g/mol
Exact Mass214.13
IUPAC Nameethene;1,3,5-triazine-2,4,6-triamine;urea
SMILESC=C.NC(N)=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C2H4.CH4N2O/c4-1-7-2(5)9-3(6)8-1;1-2;2-1(3)4/h(H6,4,5,6,7,8,9);1-2H2;(H4,2,3,4)
InChIKeyKMYWIBWMTBYHIV-UHFFFAOYSA-N
XLogP-1.56
TPSA185.84 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 5-1.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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;1,3,5-triazine-2,4,6-triamine;urea?
The IUPAC name of ethene;1,3,5-triazine-2,4,6-triamine;urea (CID 70629470) is ethene;1,3,5-triazine-2,4,6-triamine;urea.
What is the SMILES notation for ethene;1,3,5-triazine-2,4,6-triamine;urea?
The canonical SMILES for ethene;1,3,5-triazine-2,4,6-triamine;urea is C=C.NC(N)=O.Nc1nc(N)nc(N)n1.
What is the InChIKey of ethene;1,3,5-triazine-2,4,6-triamine;urea?
The InChIKey is KMYWIBWMTBYHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C2H4.CH4N2O/c4-1-7-2(5)9-3(6)8-1;1-2;2-1(3)4/h(H6,4,5,6,7,8,9);1-2H2;(H4,2,3,4).
What are the key properties of ethene;1,3,5-triazine-2,4,6-triamine;urea?
ethene;1,3,5-triazine-2,4,6-triamine;urea has a molecular weight of 214.23 g/mol, XLogP of -1.56, 0 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1,3,5-triazine-2,4,6-triamine;urea is sourced from PubChem (CID 70629470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).