sulfo acetate;1,3,5-triazine-2,4,6-triamine

C5H10N6O5S — CID 174450451

IUPACsulfo acetate;1,3,5-triazine-2,4,6-triamine
SMILESCC(=O)OS(=O)(=O)O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C2H4O5S/c4-1-7-2(5)9-3(6)8-1;1-2(3)7-8(4,5)6/h(H6,4,5,6,7,8,9);1H3,(H,4,5,6)
InChIKeyVNQHIFOBXJFMSK-UHFFFAOYSA-N
MW266.24 g/mol
LogP-2.03
Rot. Bonds1

About sulfo acetate;1,3,5-triazine-2,4,6-triamine

sulfo acetate;1,3,5-triazine-2,4,6-triamine (PubChem CID 174450451) has the molecular formula C5H10N6O5S and a molecular weight of 266.24 g/mol. Its IUPAC name is sulfo acetate;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namesulfo acetate;1,3,5-triazine-2,4,6-triamine
PubChem CID174450451
Molecular FormulaC5H10N6O5S
Molecular Weight266.24 g/mol
Exact Mass266.04
IUPAC Namesulfo acetate;1,3,5-triazine-2,4,6-triamine
SMILESCC(=O)OS(=O)(=O)O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C2H4O5S/c4-1-7-2(5)9-3(6)8-1;1-2(3)7-8(4,5)6/h(H6,4,5,6,7,8,9);1H3,(H,4,5,6)
InChIKeyVNQHIFOBXJFMSK-UHFFFAOYSA-N
XLogP-2.03
TPSA197.40 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 5-2.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

Acetic acid--1,3,5-triazine-2,4,6-triamine (1/1)
CID 68833760
Acetic acid;1,3,5-triazine-2,4,6-triamine
CID 19838954
Acetic acid;1,3,5-triazine-2,4,6-triamine
CID 71348070
Acetic acid;1,3,5-triazine-2,4,6-triamine
CID 85726043
Oxaldehyde;sulfuric acid;1,3,5-triazine-2,4,6-triamine
CID 88254228
Azanium;1,3,5-triazine-2,4,6-triamine;acetate
CID 162300340
Acetic acid;azane;1,3,5-triazine-2,4,6-triamine
CID 174848447

Frequently Asked Questions

What is the IUPAC name of sulfo acetate;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of sulfo acetate;1,3,5-triazine-2,4,6-triamine (CID 174450451) is sulfo acetate;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for sulfo acetate;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for sulfo acetate;1,3,5-triazine-2,4,6-triamine is CC(=O)OS(=O)(=O)O.Nc1nc(N)nc(N)n1.
What is the InChIKey of sulfo acetate;1,3,5-triazine-2,4,6-triamine?
The InChIKey is VNQHIFOBXJFMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C2H4O5S/c4-1-7-2(5)9-3(6)8-1;1-2(3)7-8(4,5)6/h(H6,4,5,6,7,8,9);1H3,(H,4,5,6).
What are the key properties of sulfo acetate;1,3,5-triazine-2,4,6-triamine?
sulfo acetate;1,3,5-triazine-2,4,6-triamine has a molecular weight of 266.24 g/mol, XLogP of -2.03, 1 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for sulfo acetate;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 174450451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).