1,3,5-tris(hydroxymethyl)-1,3,5-triazinane-2,4,6-triol

C6H15N3O6 — CID 70171447

IUPAC1,3,5-tris(hydroxymethyl)-1,3,5-triazinane-2,4,6-triol
SMILESOCN1C(O)N(CO)C(O)N(CO)C1O
InChIInChI=1S/C6H15N3O6/c10-1-7-4(13)8(2-11)6(15)9(3-12)5(7)14/h4-6,10-15H,1-3H2
InChIKeyZANBTPGWLVREOX-UHFFFAOYSA-N
MW225.20 g/mol
LogP-4.42
Rot. Bonds3

About 1,3,5-tris(hydroxymethyl)-1,3,5-triazinane-2,4,6-triol

1,3,5-tris(hydroxymethyl)-1,3,5-triazinane-2,4,6-triol (PubChem CID 70171447) has the molecular formula C6H15N3O6 and a molecular weight of 225.20 g/mol. Its IUPAC name is 1,3,5-tris(hydroxymethyl)-1,3,5-triazinane-2,4,6-triol.

Molecular Properties

Compound Name1,3,5-tris(hydroxymethyl)-1,3,5-triazinane-2,4,6-triol
PubChem CID70171447
Molecular FormulaC6H15N3O6
Molecular Weight225.20 g/mol
Exact Mass225.10
IUPAC Name1,3,5-tris(hydroxymethyl)-1,3,5-triazinane-2,4,6-triol
SMILESOCN1C(O)N(CO)C(O)N(CO)C1O
InChIInChI=1S/C6H15N3O6/c10-1-7-4(13)8(2-11)6(15)9(3-12)5(7)14/h4-6,10-15H,1-3H2
InChIKeyZANBTPGWLVREOX-UHFFFAOYSA-N
XLogP-4.42
TPSA131.10 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500225.20
LogP ≤ 5-4.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(hydroxymethyl)-1,3,5-triazinane-2,4,6-triol?
The IUPAC name of 1,3,5-tris(hydroxymethyl)-1,3,5-triazinane-2,4,6-triol (CID 70171447) is 1,3,5-tris(hydroxymethyl)-1,3,5-triazinane-2,4,6-triol.
What is the SMILES notation for 1,3,5-tris(hydroxymethyl)-1,3,5-triazinane-2,4,6-triol?
The canonical SMILES for 1,3,5-tris(hydroxymethyl)-1,3,5-triazinane-2,4,6-triol is OCN1C(O)N(CO)C(O)N(CO)C1O.
What is the InChIKey of 1,3,5-tris(hydroxymethyl)-1,3,5-triazinane-2,4,6-triol?
The InChIKey is ZANBTPGWLVREOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O6/c10-1-7-4(13)8(2-11)6(15)9(3-12)5(7)14/h4-6,10-15H,1-3H2.
What are the key properties of 1,3,5-tris(hydroxymethyl)-1,3,5-triazinane-2,4,6-triol?
1,3,5-tris(hydroxymethyl)-1,3,5-triazinane-2,4,6-triol has a molecular weight of 225.20 g/mol, XLogP of -4.42, 3 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(hydroxymethyl)-1,3,5-triazinane-2,4,6-triol is sourced from PubChem (CID 70171447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).