5-(hydroxymethyl)-1,3,5-triazinan-2-one

C4H9N3O2 — CID 21365261

IUPAC5-(hydroxymethyl)-1,3,5-triazinan-2-one
SMILESO=C1NCN(CO)CN1
InChIInChI=1S/C4H9N3O2/c8-3-7-1-5-4(9)6-2-7/h8H,1-3H2,(H2,5,6,9)
InChIKeyQQDCBDYMPMUNHP-UHFFFAOYSA-N
MW131.13 g/mol
LogP-1.53
Rot. Bonds1

About 5-(hydroxymethyl)-1,3,5-triazinan-2-one

5-(hydroxymethyl)-1,3,5-triazinan-2-one (PubChem CID 21365261) has the molecular formula C4H9N3O2 and a molecular weight of 131.13 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1,3,5-triazinan-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-1,3,5-triazinan-2-one
PubChem CID21365261
Molecular FormulaC4H9N3O2
Molecular Weight131.13 g/mol
Exact Mass131.07
IUPAC Name5-(hydroxymethyl)-1,3,5-triazinan-2-one
SMILESO=C1NCN(CO)CN1
InChIInChI=1S/C4H9N3O2/c8-3-7-1-5-4(9)6-2-7/h8H,1-3H2,(H2,5,6,9)
InChIKeyQQDCBDYMPMUNHP-UHFFFAOYSA-N
XLogP-1.53
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1,3,5-triazinan-2-one?
The IUPAC name of 5-(hydroxymethyl)-1,3,5-triazinan-2-one (CID 21365261) is 5-(hydroxymethyl)-1,3,5-triazinan-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-1,3,5-triazinan-2-one?
The canonical SMILES for 5-(hydroxymethyl)-1,3,5-triazinan-2-one is O=C1NCN(CO)CN1.
What is the InChIKey of 5-(hydroxymethyl)-1,3,5-triazinan-2-one?
The InChIKey is QQDCBDYMPMUNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2/c8-3-7-1-5-4(9)6-2-7/h8H,1-3H2,(H2,5,6,9).
What are the key properties of 5-(hydroxymethyl)-1,3,5-triazinan-2-one?
5-(hydroxymethyl)-1,3,5-triazinan-2-one has a molecular weight of 131.13 g/mol, XLogP of -1.53, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1,3,5-triazinan-2-one is sourced from PubChem (CID 21365261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).