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

C6H15N3O3 — CID 67613318

IUPAC[1,3-bis(hydroxymethyl)triazinan-5-yl]methanol
SMILESOCC1CN(CO)NN(CO)C1
InChIInChI=1S/C6H15N3O3/c10-3-6-1-8(4-11)7-9(2-6)5-12/h6-7,10-12H,1-5H2
InChIKeyBLZGNXCJWFTEHN-UHFFFAOYSA-N
MW177.20 g/mol
LogP-2.47
Rot. Bonds3

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

[1,3-bis(hydroxymethyl)triazinan-5-yl]methanol (PubChem CID 67613318) has the molecular formula C6H15N3O3 and a molecular weight of 177.20 g/mol. Its IUPAC name is [1,3-bis(hydroxymethyl)triazinan-5-yl]methanol.

Molecular Properties

Compound Name[1,3-bis(hydroxymethyl)triazinan-5-yl]methanol
PubChem CID67613318
Molecular FormulaC6H15N3O3
Molecular Weight177.20 g/mol
Exact Mass177.11
IUPAC Name[1,3-bis(hydroxymethyl)triazinan-5-yl]methanol
SMILESOCC1CN(CO)NN(CO)C1
InChIInChI=1S/C6H15N3O3/c10-3-6-1-8(4-11)7-9(2-6)5-12/h6-7,10-12H,1-5H2
InChIKeyBLZGNXCJWFTEHN-UHFFFAOYSA-N
XLogP-2.47
TPSA79.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-2.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1,3-bis(hydroxymethyl)triazinan-5-yl]methanol?
The IUPAC name of [1,3-bis(hydroxymethyl)triazinan-5-yl]methanol (CID 67613318) is [1,3-bis(hydroxymethyl)triazinan-5-yl]methanol.
What is the SMILES notation for [1,3-bis(hydroxymethyl)triazinan-5-yl]methanol?
The canonical SMILES for [1,3-bis(hydroxymethyl)triazinan-5-yl]methanol is OCC1CN(CO)NN(CO)C1.
What is the InChIKey of [1,3-bis(hydroxymethyl)triazinan-5-yl]methanol?
The InChIKey is BLZGNXCJWFTEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O3/c10-3-6-1-8(4-11)7-9(2-6)5-12/h6-7,10-12H,1-5H2.
What are the key properties of [1,3-bis(hydroxymethyl)triazinan-5-yl]methanol?
[1,3-bis(hydroxymethyl)triazinan-5-yl]methanol has a molecular weight of 177.20 g/mol, XLogP of -2.47, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-bis(hydroxymethyl)triazinan-5-yl]methanol is sourced from PubChem (CID 67613318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).