potassium 4-methyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopent-5-en-3-one

C4H3F3KN3O — CID 11183332

IUPACpotassium 4-methyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopent-5-en-3-one
SMILESCn1c(C(F)(F)F)n[n-]c1=O.[K+]
InChIInChI=1S/C4H4F3N3O.K/c1-10-2(4(5,6)7)8-9-3(10)11;/h1H3,(H,9,11);/q;+1/p-1
InChIKeyZJSVCCTVIHRSFR-UHFFFAOYSA-M
MW205.18 g/mol
LogP-3.24
Rot. Bonds

About potassium 4-methyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopent-5-en-3-one

potassium 4-methyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopent-5-en-3-one (PubChem CID 11183332) has the molecular formula C4H3F3KN3O and a molecular weight of 205.18 g/mol. Its IUPAC name is potassium 4-methyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopent-5-en-3-one.

Molecular Properties

Compound Namepotassium 4-methyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopent-5-en-3-one
PubChem CID11183332
Molecular FormulaC4H3F3KN3O
Molecular Weight205.18 g/mol
Exact Mass204.99
IUPAC Namepotassium 4-methyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopent-5-en-3-one
SMILESCn1c(C(F)(F)F)n[n-]c1=O.[K+]
InChIInChI=1S/C4H4F3N3O.K/c1-10-2(4(5,6)7)8-9-3(10)11;/h1H3,(H,9,11);/q;+1/p-1
InChIKeyZJSVCCTVIHRSFR-UHFFFAOYSA-M
XLogP-3.24
TPSA48.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 5-3.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium 4-methyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopent-5-en-3-one?
The IUPAC name of potassium 4-methyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopent-5-en-3-one (CID 11183332) is potassium 4-methyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopent-5-en-3-one.
What is the SMILES notation for potassium 4-methyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopent-5-en-3-one?
The canonical SMILES for potassium 4-methyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopent-5-en-3-one is Cn1c(C(F)(F)F)n[n-]c1=O.[K+].
What is the InChIKey of potassium 4-methyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopent-5-en-3-one?
The InChIKey is ZJSVCCTVIHRSFR-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H4F3N3O.K/c1-10-2(4(5,6)7)8-9-3(10)11;/h1H3,(H,9,11);/q;+1/p-1.
What are the key properties of potassium 4-methyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopent-5-en-3-one?
potassium 4-methyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopent-5-en-3-one has a molecular weight of 205.18 g/mol, XLogP of -3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-methyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopent-5-en-3-one is sourced from PubChem (CID 11183332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).