1-(methoxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one

C7H15N3O2 — CID 18721204

IUPAC1-(methoxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one
SMILESCOCN1CN(C)CN(C)C1=O
InChIInChI=1S/C7H15N3O2/c1-8-4-9(2)7(11)10(5-8)6-12-3/h4-6H2,1-3H3
InChIKeyXAKAFYZJRXXIKZ-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.20
Rot. Bonds2

About 1-(methoxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one

1-(methoxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one (PubChem CID 18721204) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 1-(methoxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one.

Molecular Properties

Compound Name1-(methoxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one
PubChem CID18721204
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name1-(methoxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one
SMILESCOCN1CN(C)CN(C)C1=O
InChIInChI=1S/C7H15N3O2/c1-8-4-9(2)7(11)10(5-8)6-12-3/h4-6H2,1-3H3
InChIKeyXAKAFYZJRXXIKZ-UHFFFAOYSA-N
XLogP-0.20
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one?
The IUPAC name of 1-(methoxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one (CID 18721204) is 1-(methoxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one.
What is the SMILES notation for 1-(methoxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one?
The canonical SMILES for 1-(methoxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one is COCN1CN(C)CN(C)C1=O.
What is the InChIKey of 1-(methoxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one?
The InChIKey is XAKAFYZJRXXIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-8-4-9(2)7(11)10(5-8)6-12-3/h4-6H2,1-3H3.
What are the key properties of 1-(methoxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one?
1-(methoxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one has a molecular weight of 173.22 g/mol, XLogP of -0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one is sourced from PubChem (CID 18721204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).