acetic acid;[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol

C11H22N6O8 — CID 159304701

About acetic acid;[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol

acetic acid;[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol (PubChem CID 159304701) has the molecular formula C11H22N6O8 and a molecular weight of 366.33 g/mol. Its IUPAC name is acetic acid;[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol.

Molecular Properties

• Compound Name: acetic acid;[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol
• PubChem CID: 159304701
• Molecular Formula: C11H22N6O8
• Molecular Weight: 366.33 g/mol
• Exact Mass: 366.15
• IUPAC Name: acetic acid;[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol
• SMILES: CC(=O)O.OCN(CO)c1nc(N(CO)CO)nc(N(CO)CO)n1
• InChI: InChI=1S/C9H18N6O6.C2H4O2/c16-1-13(2-17)7-10-8(14(3-18)4-19)12-9(11-7)15(5-20)6-21;1-2(3)4/h16-21H,1-6H2;1H3,(H,3,4)
• InChIKey: LBTSNDFOQQAHCM-UHFFFAOYSA-N
• XLogP: -3.92
• TPSA: 207.07 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	366.33
LogP ≤ 5	-3.92
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetic acid;[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol?

The IUPAC name of acetic acid;[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol (CID 159304701) is acetic acid;[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol.

What is the SMILES notation for acetic acid;[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol?

The canonical SMILES for acetic acid;[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol is CC(=O)O.OCN(CO)c1nc(N(CO)CO)nc(N(CO)CO)n1.

What is the InChIKey of acetic acid;[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol?

The InChIKey is LBTSNDFOQQAHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O6.C2H4O2/c16-1-13(2-17)7-10-8(14(3-18)4-19)12-9(11-7)15(5-20)6-21;1-2(3)4/h16-21H,1-6H2;1H3,(H,3,4).

What are the key properties of acetic acid;[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol?

acetic acid;[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol has a molecular weight of 366.33 g/mol, XLogP of -3.92, 9 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol is sourced from PubChem (CID 159304701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).