1,3-bis(hydroxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione

C6H9N3O5 — CID 15495785

IUPAC1,3-bis(hydroxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCn1c(=O)n(CO)c(=O)n(CO)c1=O
InChIInChI=1S/C6H9N3O5/c1-7-4(12)8(2-10)6(14)9(3-11)5(7)13/h10-11H,2-3H2,1H3
InChIKeyNXFSZTSZNGNZKV-UHFFFAOYSA-N
MW203.15 g/mol
LogP-3.39
Rot. Bonds2

About 1,3-bis(hydroxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione

1,3-bis(hydroxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 15495785) has the molecular formula C6H9N3O5 and a molecular weight of 203.15 g/mol. Its IUPAC name is 1,3-bis(hydroxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis(hydroxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
PubChem CID15495785
Molecular FormulaC6H9N3O5
Molecular Weight203.15 g/mol
Exact Mass203.05
IUPAC Name1,3-bis(hydroxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCn1c(=O)n(CO)c(=O)n(CO)c1=O
InChIInChI=1S/C6H9N3O5/c1-7-4(12)8(2-10)6(14)9(3-11)5(7)13/h10-11H,2-3H2,1H3
InChIKeyNXFSZTSZNGNZKV-UHFFFAOYSA-N
XLogP-3.39
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 5-3.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4H-1,3,5-Oxadiazin-4-one, tetrahydro-3,5-bis(hydroxymethyl)-
CID 81763
1,3,5-Tris(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 12465430
1,3-Bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 12465425
1,3-Bis(hydroxymethyl)-5-methyl-1,3,5-triazinan-2-one
CID 21999172
1,5-Bis(hydroxymethyl)-1,3,5-triazinane-2,4-dione
CID 15309371
6-Hydroxy-1,3,5-trimethyl-1,3,5-triazinane-2,4-dione
CID 13484842
1-(Hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 14549084
1-(Hydroxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one
CID 20648429
3-(Hydroxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one
CID 20648431
1-(Hydroxymethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione
CID 20750457
1-(Hydroxymethyl)-3,5-bis(methoxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 21303671
1,3,5-Tris(methoxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 23386288

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(hydroxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-bis(hydroxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione (CID 15495785) is 1,3-bis(hydroxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis(hydroxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis(hydroxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione is Cn1c(=O)n(CO)c(=O)n(CO)c1=O.
What is the InChIKey of 1,3-bis(hydroxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is NXFSZTSZNGNZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O5/c1-7-4(12)8(2-10)6(14)9(3-11)5(7)13/h10-11H,2-3H2,1H3.
What are the key properties of 1,3-bis(hydroxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione?
1,3-bis(hydroxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 203.15 g/mol, XLogP of -3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(hydroxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 15495785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).