potassium 3-methyl-4H-1,2,4-oxadiazol-5-one

C3H4KN2O2+ — CID 136915235

IUPACpotassium 3-methyl-4H-1,2,4-oxadiazol-5-one
SMILESCc1noc(=O)[nH]1.[K+]
InChIInChI=1S/C3H4N2O2.K/c1-2-4-3(6)7-5-2;/h1H3,(H,4,5,6);/q;+1
InChIKeyZTUAMBCLZXCQIK-UHFFFAOYSA-N
MW139.18 g/mol
LogP-3.32
Rot. Bonds

About potassium 3-methyl-4H-1,2,4-oxadiazol-5-one

potassium 3-methyl-4H-1,2,4-oxadiazol-5-one (PubChem CID 136915235) has the molecular formula C3H4KN2O2+ and a molecular weight of 139.18 g/mol. Its IUPAC name is potassium 3-methyl-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Namepotassium 3-methyl-4H-1,2,4-oxadiazol-5-one
PubChem CID136915235
Molecular FormulaC3H4KN2O2+
Molecular Weight139.18 g/mol
Exact Mass138.99
IUPAC Namepotassium 3-methyl-4H-1,2,4-oxadiazol-5-one
SMILESCc1noc(=O)[nH]1.[K+]
InChIInChI=1S/C3H4N2O2.K/c1-2-4-3(6)7-5-2;/h1H3,(H,4,5,6);/q;+1
InChIKeyZTUAMBCLZXCQIK-UHFFFAOYSA-N
XLogP-3.32
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 5-3.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-1,2,4-oxadiazol-5-ol
CID 135546352
2,3-dimethyl-4H-1,2,4-oxadiazol-2-ium-5-one
CID 57767015
ethane;3-methanidyl-4H-1,2,4-oxadiazol-5-one;yttrium
CID 58101906
3-Ethyl-1,2,4-oxadiazol-5-ol
CID 135753908
CID 136018886
CID 136018886
CID 139271989
CID 139271989
ethane;3-methyl-4H-1,2,4-oxadiazol-5-one
CID 141823906
ethane;3-methyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen
CID 141823910
ethane;3-methyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen
CID 141939940
3-methyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen
CID 141954796
ethane;3-methyl-4H-1,2,4-oxadiazol-5-one
CID 142121034
butane;3-methyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen
CID 144512951

Frequently Asked Questions

What is the IUPAC name of potassium 3-methyl-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of potassium 3-methyl-4H-1,2,4-oxadiazol-5-one (CID 136915235) is potassium 3-methyl-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for potassium 3-methyl-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for potassium 3-methyl-4H-1,2,4-oxadiazol-5-one is Cc1noc(=O)[nH]1.[K+].
What is the InChIKey of potassium 3-methyl-4H-1,2,4-oxadiazol-5-one?
The InChIKey is ZTUAMBCLZXCQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O2.K/c1-2-4-3(6)7-5-2;/h1H3,(H,4,5,6);/q;+1.
What are the key properties of potassium 3-methyl-4H-1,2,4-oxadiazol-5-one?
potassium 3-methyl-4H-1,2,4-oxadiazol-5-one has a molecular weight of 139.18 g/mol, XLogP of -3.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-methyl-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 136915235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).