ethyl methyl carbonate;1,3,5-triazine-2,4,6-triamine

C7H14N6O3 — CID 174624969

IUPACethyl methyl carbonate;1,3,5-triazine-2,4,6-triamine
SMILESCCOC(=O)OC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H8O3.C3H6N6/c1-3-7-4(5)6-2;4-1-7-2(5)9-3(6)8-1/h3H2,1-2H3;(H6,4,5,6,7,8,9)
InChIKeyWBYIAFNZFQXZDM-UHFFFAOYSA-N
MW230.23 g/mol
LogP-0.59
Rot. Bonds1

About ethyl methyl carbonate;1,3,5-triazine-2,4,6-triamine

ethyl methyl carbonate;1,3,5-triazine-2,4,6-triamine (PubChem CID 174624969) has the molecular formula C7H14N6O3 and a molecular weight of 230.23 g/mol. Its IUPAC name is ethyl methyl carbonate;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameethyl methyl carbonate;1,3,5-triazine-2,4,6-triamine
PubChem CID174624969
Molecular FormulaC7H14N6O3
Molecular Weight230.23 g/mol
Exact Mass230.11
IUPAC Nameethyl methyl carbonate;1,3,5-triazine-2,4,6-triamine
SMILESCCOC(=O)OC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H8O3.C3H6N6/c1-3-7-4(5)6-2;4-1-7-2(5)9-3(6)8-1/h3H2,1-2H3;(H6,4,5,6,7,8,9)
InChIKeyWBYIAFNZFQXZDM-UHFFFAOYSA-N
XLogP-0.59
TPSA152.26 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl methyl carbonate;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of ethyl methyl carbonate;1,3,5-triazine-2,4,6-triamine (CID 174624969) is ethyl methyl carbonate;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for ethyl methyl carbonate;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for ethyl methyl carbonate;1,3,5-triazine-2,4,6-triamine is CCOC(=O)OC.Nc1nc(N)nc(N)n1.
What is the InChIKey of ethyl methyl carbonate;1,3,5-triazine-2,4,6-triamine?
The InChIKey is WBYIAFNZFQXZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.C3H6N6/c1-3-7-4(5)6-2;4-1-7-2(5)9-3(6)8-1/h3H2,1-2H3;(H6,4,5,6,7,8,9).
What are the key properties of ethyl methyl carbonate;1,3,5-triazine-2,4,6-triamine?
ethyl methyl carbonate;1,3,5-triazine-2,4,6-triamine has a molecular weight of 230.23 g/mol, XLogP of -0.59, 1 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl methyl carbonate;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 174624969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).