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

C5H13N7O2 — CID 162300340

IUPACazanium;1,3,5-triazine-2,4,6-triamine;acetate
SMILESCC(=O)[O-].Nc1nc(N)nc(N)n1.[NH4+]
InChIInChI=1S/C3H6N6.C2H4O2.H3N/c4-1-7-2(5)9-3(6)8-1;1-2(3)4;/h(H6,4,5,6,7,8,9);1H3,(H,3,4);1H3
InChIKeyFTUMCVCLCYGJLD-UHFFFAOYSA-N
MW203.21 g/mol
LogP-2.25
Rot. Bonds

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

azanium;1,3,5-triazine-2,4,6-triamine;acetate (PubChem CID 162300340) has the molecular formula C5H13N7O2 and a molecular weight of 203.21 g/mol. Its IUPAC name is azanium;1,3,5-triazine-2,4,6-triamine;acetate.

Molecular Properties

Compound Nameazanium;1,3,5-triazine-2,4,6-triamine;acetate
PubChem CID162300340
Molecular FormulaC5H13N7O2
Molecular Weight203.21 g/mol
Exact Mass203.11
IUPAC Nameazanium;1,3,5-triazine-2,4,6-triamine;acetate
SMILESCC(=O)[O-].Nc1nc(N)nc(N)n1.[NH4+]
InChIInChI=1S/C3H6N6.C2H4O2.H3N/c4-1-7-2(5)9-3(6)8-1;1-2(3)4;/h(H6,4,5,6,7,8,9);1H3,(H,3,4);1H3
InChIKeyFTUMCVCLCYGJLD-UHFFFAOYSA-N
XLogP-2.25
TPSA193.36 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 5-2.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of azanium;1,3,5-triazine-2,4,6-triamine;acetate?
The IUPAC name of azanium;1,3,5-triazine-2,4,6-triamine;acetate (CID 162300340) is azanium;1,3,5-triazine-2,4,6-triamine;acetate.
What is the SMILES notation for azanium;1,3,5-triazine-2,4,6-triamine;acetate?
The canonical SMILES for azanium;1,3,5-triazine-2,4,6-triamine;acetate is CC(=O)[O-].Nc1nc(N)nc(N)n1.[NH4+].
What is the InChIKey of azanium;1,3,5-triazine-2,4,6-triamine;acetate?
The InChIKey is FTUMCVCLCYGJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C2H4O2.H3N/c4-1-7-2(5)9-3(6)8-1;1-2(3)4;/h(H6,4,5,6,7,8,9);1H3,(H,3,4);1H3.
What are the key properties of azanium;1,3,5-triazine-2,4,6-triamine;acetate?
azanium;1,3,5-triazine-2,4,6-triamine;acetate has a molecular weight of 203.21 g/mol, XLogP of -2.25, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;1,3,5-triazine-2,4,6-triamine;acetate is sourced from PubChem (CID 162300340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).