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

C6H16N3O3+ — CID 174522874

IUPAC[3,5-bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol;hydron
SMILESOCN1CN(CO)CN(CO)C1.[H+]
InChIInChI=1S/C6H15N3O3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h10-12H,1-6H2/p+1
InChIKeyVLGJRAODDPWBTI-UHFFFAOYSA-O
MW178.21 g/mol
LogP-2.26
Rot. Bonds3

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

[3,5-bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol;hydron (PubChem CID 174522874) has the molecular formula C6H16N3O3+ and a molecular weight of 178.21 g/mol. Its IUPAC name is [3,5-bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol;hydron.

Molecular Properties

Compound Name[3,5-bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol;hydron
PubChem CID174522874
Molecular FormulaC6H16N3O3+
Molecular Weight178.21 g/mol
Exact Mass178.12
IUPAC Name[3,5-bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol;hydron
SMILESOCN1CN(CO)CN(CO)C1.[H+]
InChIInChI=1S/C6H15N3O3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h10-12H,1-6H2/p+1
InChIKeyVLGJRAODDPWBTI-UHFFFAOYSA-O
XLogP-2.26
TPSA70.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 5-2.26
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;hydron?
The IUPAC name of [3,5-bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol;hydron (CID 174522874) is [3,5-bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol;hydron.
What is the SMILES notation for [3,5-bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol;hydron?
The canonical SMILES for [3,5-bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol;hydron is OCN1CN(CO)CN(CO)C1.[H+].
What is the InChIKey of [3,5-bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol;hydron?
The InChIKey is VLGJRAODDPWBTI-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H15N3O3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h10-12H,1-6H2/p+1.
What are the key properties of [3,5-bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol;hydron?
[3,5-bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol;hydron has a molecular weight of 178.21 g/mol, XLogP of -2.26, 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;hydron is sourced from PubChem (CID 174522874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).