potassium 3-propoxy-1H-1,2,4-triazol-5-olate

C5H8KN3O2 — CID 138394312

IUPACpotassium 3-propoxy-1H-1,2,4-triazol-5-olate
SMILESCCCOc1n[nH]c([O-])n1.[K+]
InChIInChI=1S/C5H9N3O2.K/c1-2-3-10-5-6-4(9)7-8-5;/h2-3H2,1H3,(H2,6,7,8,9);/q;+1/p-1
InChIKeyORZHDHOPVIRYQZ-UHFFFAOYSA-M
MW181.24 g/mol
LogP-3.33
Rot. Bonds3

About potassium 3-propoxy-1H-1,2,4-triazol-5-olate

potassium 3-propoxy-1H-1,2,4-triazol-5-olate (PubChem CID 138394312) has the molecular formula C5H8KN3O2 and a molecular weight of 181.24 g/mol. Its IUPAC name is potassium 3-propoxy-1H-1,2,4-triazol-5-olate.

Molecular Properties

Compound Namepotassium 3-propoxy-1H-1,2,4-triazol-5-olate
PubChem CID138394312
Molecular FormulaC5H8KN3O2
Molecular Weight181.24 g/mol
Exact Mass181.03
IUPAC Namepotassium 3-propoxy-1H-1,2,4-triazol-5-olate
SMILESCCCOc1n[nH]c([O-])n1.[K+]
InChIInChI=1S/C5H9N3O2.K/c1-2-3-10-5-6-4(9)7-8-5;/h2-3H2,1H3,(H2,6,7,8,9);/q;+1/p-1
InChIKeyORZHDHOPVIRYQZ-UHFFFAOYSA-M
XLogP-3.33
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-3.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethoxy-1H-1,2,4-triazol-3-amine
CID 13045208
1,2,5-Dimethoxy-1,2,4-triazole
CID 539449
3-Bromo-5-ethoxy-1h-1,2,4-triazole
CID 119083138
3-Bromo-5-isopropoxy-1h-1,2,4-triazole
CID 129743120
potassium 3-methoxy-1H-1,2,4-triazol-5-olate
CID 170854446
3-propoxy-1H-1,2,4-triazol-5-amine
CID 20307918
3-butoxy-1H-1,2,4-triazol-5-amine
CID 20307921
5-propoxy-1H-1,2,4-triazole
CID 53744461
5-iodo-3-(2-methylpropoxy)-1H-1,2,4-triazole
CID 155409195
3-ethoxy-5-iodo-1H-1,2,4-triazole
CID 155409207
3-propan-2-yloxy-1H-1,2,4-triazol-5-amine
CID 100786220
3-ethoxy-5-(sulfamoylamino)-1H-1,2,4-triazole
CID 104818915

Frequently Asked Questions

What is the IUPAC name of potassium 3-propoxy-1H-1,2,4-triazol-5-olate?
The IUPAC name of potassium 3-propoxy-1H-1,2,4-triazol-5-olate (CID 138394312) is potassium 3-propoxy-1H-1,2,4-triazol-5-olate.
What is the SMILES notation for potassium 3-propoxy-1H-1,2,4-triazol-5-olate?
The canonical SMILES for potassium 3-propoxy-1H-1,2,4-triazol-5-olate is CCCOc1n[nH]c([O-])n1.[K+].
What is the InChIKey of potassium 3-propoxy-1H-1,2,4-triazol-5-olate?
The InChIKey is ORZHDHOPVIRYQZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9N3O2.K/c1-2-3-10-5-6-4(9)7-8-5;/h2-3H2,1H3,(H2,6,7,8,9);/q;+1/p-1.
What are the key properties of potassium 3-propoxy-1H-1,2,4-triazol-5-olate?
potassium 3-propoxy-1H-1,2,4-triazol-5-olate has a molecular weight of 181.24 g/mol, XLogP of -3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-propoxy-1H-1,2,4-triazol-5-olate is sourced from PubChem (CID 138394312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).