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

C3H4KN3O2 — CID 170854446

IUPACpotassium 3-methoxy-1H-1,2,4-triazol-5-olate
SMILESCOc1n[nH]c([O-])n1.[K+]
InChIInChI=1S/C3H5N3O2.K/c1-8-3-4-2(7)5-6-3;/h1H3,(H2,4,5,6,7);/q;+1/p-1
InChIKeyKGCDUUTXJTYHND-UHFFFAOYSA-M
MW153.18 g/mol
LogP-4.11
Rot. Bonds1

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

potassium 3-methoxy-1H-1,2,4-triazol-5-olate (PubChem CID 170854446) has the molecular formula C3H4KN3O2 and a molecular weight of 153.18 g/mol. Its IUPAC name is potassium 3-methoxy-1H-1,2,4-triazol-5-olate.

Molecular Properties

Compound Namepotassium 3-methoxy-1H-1,2,4-triazol-5-olate
PubChem CID170854446
Molecular FormulaC3H4KN3O2
Molecular Weight153.18 g/mol
Exact Mass152.99
IUPAC Namepotassium 3-methoxy-1H-1,2,4-triazol-5-olate
SMILESCOc1n[nH]c([O-])n1.[K+]
InChIInChI=1S/C3H5N3O2.K/c1-8-3-4-2(7)5-6-3;/h1H3,(H2,4,5,6,7);/q;+1/p-1
InChIKeyKGCDUUTXJTYHND-UHFFFAOYSA-M
XLogP-4.11
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-4.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methoxy-1H-1,2,4-triazol-3-amine
CID 307982
3-Bromo-5-methoxy-1H-1,2,4-triazole
CID 56737790
5-fluoro-3-methoxy-1H-1,2,4-triazole
CID 154377172
1,2,5-Dimethoxy-1,2,4-triazole
CID 539449
Potassium 3-propoxy-1H-1,2,4-triazol-5-olate
CID 138394312
5-azido-3-methoxy-1H-1,2,4-triazole
CID 3450738
3-chloro-5-methoxy-4H-1,2,4-triazole
CID 55267567
5-(chloromethoxy)-3-methoxy-1H-1,2,4-triazole
CID 145817899
Imino-[(5-methoxy-2H-1,2,4-triazol-3-YL)imino]azanium
CID 6333298

Frequently Asked Questions

What is the IUPAC name of potassium 3-methoxy-1H-1,2,4-triazol-5-olate?
The IUPAC name of potassium 3-methoxy-1H-1,2,4-triazol-5-olate (CID 170854446) is potassium 3-methoxy-1H-1,2,4-triazol-5-olate.
What is the SMILES notation for potassium 3-methoxy-1H-1,2,4-triazol-5-olate?
The canonical SMILES for potassium 3-methoxy-1H-1,2,4-triazol-5-olate is COc1n[nH]c([O-])n1.[K+].
What is the InChIKey of potassium 3-methoxy-1H-1,2,4-triazol-5-olate?
The InChIKey is KGCDUUTXJTYHND-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5N3O2.K/c1-8-3-4-2(7)5-6-3;/h1H3,(H2,4,5,6,7);/q;+1/p-1.
What are the key properties of potassium 3-methoxy-1H-1,2,4-triazol-5-olate?
potassium 3-methoxy-1H-1,2,4-triazol-5-olate has a molecular weight of 153.18 g/mol, XLogP of -4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-methoxy-1H-1,2,4-triazol-5-olate is sourced from PubChem (CID 170854446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).