ethenyl acetate;1,3,5-triazine-2,4,6-triamine

C7H12N6O2 — CID 158915690

IUPACethenyl acetate;1,3,5-triazine-2,4,6-triamine
SMILESC=COC(C)=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H6O2.C3H6N6/c1-3-6-4(2)5;4-1-7-2(5)9-3(6)8-1/h3H,1H2,2H3;(H6,4,5,6,7,8,9)
InChIKeyJHEVONUVVSMGJR-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.69
Rot. Bonds1

About ethenyl acetate;1,3,5-triazine-2,4,6-triamine

ethenyl acetate;1,3,5-triazine-2,4,6-triamine (PubChem CID 158915690) has the molecular formula C7H12N6O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is ethenyl acetate;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameethenyl acetate;1,3,5-triazine-2,4,6-triamine
PubChem CID158915690
Molecular FormulaC7H12N6O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Nameethenyl acetate;1,3,5-triazine-2,4,6-triamine
SMILESC=COC(C)=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H6O2.C3H6N6/c1-3-6-4(2)5;4-1-7-2(5)9-3(6)8-1/h3H,1H2,2H3;(H6,4,5,6,7,8,9)
InChIKeyJHEVONUVVSMGJR-UHFFFAOYSA-N
XLogP-0.69
TPSA143.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of ethenyl acetate;1,3,5-triazine-2,4,6-triamine (CID 158915690) is ethenyl acetate;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for ethenyl acetate;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for ethenyl acetate;1,3,5-triazine-2,4,6-triamine is C=COC(C)=O.Nc1nc(N)nc(N)n1.
What is the InChIKey of ethenyl acetate;1,3,5-triazine-2,4,6-triamine?
The InChIKey is JHEVONUVVSMGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C3H6N6/c1-3-6-4(2)5;4-1-7-2(5)9-3(6)8-1/h3H,1H2,2H3;(H6,4,5,6,7,8,9).
What are the key properties of ethenyl acetate;1,3,5-triazine-2,4,6-triamine?
ethenyl acetate;1,3,5-triazine-2,4,6-triamine has a molecular weight of 212.21 g/mol, XLogP of -0.69, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 158915690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).