potassium;1,3,5-triazinane;acetate

C5H12KN3O2 — CID 162319919

IUPACpotassium;1,3,5-triazinane;acetate
SMILESC1NCNCN1.CC(=O)[O-].[K+]
InChIInChI=1S/C3H9N3.C2H4O2.K/c1-4-2-6-3-5-1;1-2(3)4;/h4-6H,1-3H2;1H3,(H,3,4);/q;;+1/p-1
InChIKeyMRWMQNLELPJTLL-UHFFFAOYSA-M
MW185.27 g/mol
LogP-5.60
Rot. Bonds

About potassium;1,3,5-triazinane;acetate

potassium;1,3,5-triazinane;acetate (PubChem CID 162319919) has the molecular formula C5H12KN3O2 and a molecular weight of 185.27 g/mol. Its IUPAC name is potassium;1,3,5-triazinane;acetate.

Molecular Properties

Compound Namepotassium;1,3,5-triazinane;acetate
PubChem CID162319919
Molecular FormulaC5H12KN3O2
Molecular Weight185.27 g/mol
Exact Mass185.06
IUPAC Namepotassium;1,3,5-triazinane;acetate
SMILESC1NCNCN1.CC(=O)[O-].[K+]
InChIInChI=1S/C3H9N3.C2H4O2.K/c1-4-2-6-3-5-1;1-2(3)4;/h4-6H,1-3H2;1H3,(H,3,4);/q;;+1/p-1
InChIKeyMRWMQNLELPJTLL-UHFFFAOYSA-M
XLogP-5.60
TPSA76.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-5.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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tricalcium;acetate;carbonate;chloride
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manganese(3+) diacetate
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CID 170997571
zirconium acetate
CID 18596
uranium hexaacetate
CID 20541057

Frequently Asked Questions

What is the IUPAC name of potassium;1,3,5-triazinane;acetate?
The IUPAC name of potassium;1,3,5-triazinane;acetate (CID 162319919) is potassium;1,3,5-triazinane;acetate.
What is the SMILES notation for potassium;1,3,5-triazinane;acetate?
The canonical SMILES for potassium;1,3,5-triazinane;acetate is C1NCNCN1.CC(=O)[O-].[K+].
What is the InChIKey of potassium;1,3,5-triazinane;acetate?
The InChIKey is MRWMQNLELPJTLL-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H9N3.C2H4O2.K/c1-4-2-6-3-5-1;1-2(3)4;/h4-6H,1-3H2;1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of potassium;1,3,5-triazinane;acetate?
potassium;1,3,5-triazinane;acetate has a molecular weight of 185.27 g/mol, XLogP of -5.60, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1,3,5-triazinane;acetate is sourced from PubChem (CID 162319919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).