[3,5-bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol

C6H15N3O3 — CID 58827812

IUPAC[3,5-bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol
SMILESOCN1CN(CO)CN(CO)C1
InChIInChI=1S/C6H15N3O3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h10-12H,1-6H2
InChIKeyVLGJRAODDPWBTI-UHFFFAOYSA-N
MW177.20 g/mol
LogP-2.37
Rot. Bonds3

About [3,5-bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol

[3,5-bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol (PubChem CID 58827812) has the molecular formula C6H15N3O3 and a molecular weight of 177.20 g/mol. Its IUPAC name is [3,5-bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol.

Molecular Properties

Compound Name[3,5-bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol
PubChem CID58827812
Molecular FormulaC6H15N3O3
Molecular Weight177.20 g/mol
Exact Mass177.11
IUPAC Name[3,5-bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol
SMILESOCN1CN(CO)CN(CO)C1
InChIInChI=1S/C6H15N3O3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h10-12H,1-6H2
InChIKeyVLGJRAODDPWBTI-UHFFFAOYSA-N
XLogP-2.37
TPSA70.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-2.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3,5-bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol?
The IUPAC name of [3,5-bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol (CID 58827812) is [3,5-bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol.
What is the SMILES notation for [3,5-bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol?
The canonical SMILES for [3,5-bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol is OCN1CN(CO)CN(CO)C1.
What is the InChIKey of [3,5-bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol?
The InChIKey is VLGJRAODDPWBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h10-12H,1-6H2.
What are the key properties of [3,5-bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol?
[3,5-bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol has a molecular weight of 177.20 g/mol, XLogP of -2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol is sourced from PubChem (CID 58827812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).