4-imino-5-(methoxymethyl)-1,3,5-triazinan-2-one

C5H10N4O2 — CID 173425447

IUPAC4-imino-5-(methoxymethyl)-1,3,5-triazinan-2-one
SMILES[H]/N=C1\NC(=O)NCN1COC
InChIInChI=1S/C5H10N4O2/c1-11-3-9-2-7-5(10)8-4(9)6/h2-3H2,1H3,(H3,6,7,8,10)
InChIKeyOFCNCTFLMGXSPC-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.90
Rot. Bonds2

About 4-imino-5-(methoxymethyl)-1,3,5-triazinan-2-one

4-imino-5-(methoxymethyl)-1,3,5-triazinan-2-one (PubChem CID 173425447) has the molecular formula C5H10N4O2 and a molecular weight of 158.16 g/mol. Its IUPAC name is 4-imino-5-(methoxymethyl)-1,3,5-triazinan-2-one.

Molecular Properties

Compound Name4-imino-5-(methoxymethyl)-1,3,5-triazinan-2-one
PubChem CID173425447
Molecular FormulaC5H10N4O2
Molecular Weight158.16 g/mol
Exact Mass158.08
IUPAC Name4-imino-5-(methoxymethyl)-1,3,5-triazinan-2-one
SMILES[H]/N=C1\NC(=O)NCN1COC
InChIInChI=1S/C5H10N4O2/c1-11-3-9-2-7-5(10)8-4(9)6/h2-3H2,1H3,(H3,6,7,8,10)
InChIKeyOFCNCTFLMGXSPC-UHFFFAOYSA-N
XLogP-0.90
TPSA77.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-imino-5-(methoxymethyl)-1,3,5-triazinan-2-one?
The IUPAC name of 4-imino-5-(methoxymethyl)-1,3,5-triazinan-2-one (CID 173425447) is 4-imino-5-(methoxymethyl)-1,3,5-triazinan-2-one.
What is the SMILES notation for 4-imino-5-(methoxymethyl)-1,3,5-triazinan-2-one?
The canonical SMILES for 4-imino-5-(methoxymethyl)-1,3,5-triazinan-2-one is [H]/N=C1\NC(=O)NCN1COC.
What is the InChIKey of 4-imino-5-(methoxymethyl)-1,3,5-triazinan-2-one?
The InChIKey is OFCNCTFLMGXSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2/c1-11-3-9-2-7-5(10)8-4(9)6/h2-3H2,1H3,(H3,6,7,8,10).
What are the key properties of 4-imino-5-(methoxymethyl)-1,3,5-triazinan-2-one?
4-imino-5-(methoxymethyl)-1,3,5-triazinan-2-one has a molecular weight of 158.16 g/mol, XLogP of -0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-5-(methoxymethyl)-1,3,5-triazinan-2-one is sourced from PubChem (CID 173425447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).