potassium 2-methyl-3H-indazol-3-ide

C8H7KN2 — CID 177051291

IUPACpotassium 2-methyl-3H-indazol-3-ide
SMILESCn1[c-]c2ccccc2n1.[K+]
InChIInChI=1S/C8H7N2.K/c1-10-6-7-4-2-3-5-8(7)9-10;/h2-5H,1H3;/q-1;+1
InChIKeyLXURCSWXCFNGER-UHFFFAOYSA-N
MW170.26 g/mol
LogP-1.62
Rot. Bonds

About potassium 2-methyl-3H-indazol-3-ide

potassium 2-methyl-3H-indazol-3-ide (PubChem CID 177051291) has the molecular formula C8H7KN2 and a molecular weight of 170.26 g/mol. Its IUPAC name is potassium 2-methyl-3H-indazol-3-ide.

Molecular Properties

Compound Namepotassium 2-methyl-3H-indazol-3-ide
PubChem CID177051291
Molecular FormulaC8H7KN2
Molecular Weight170.26 g/mol
Exact Mass170.02
IUPAC Namepotassium 2-methyl-3H-indazol-3-ide
SMILESCn1[c-]c2ccccc2n1.[K+]
InChIInChI=1S/C8H7N2.K/c1-10-6-7-4-2-3-5-8(7)9-10;/h2-5H,1H3;/q-1;+1
InChIKeyLXURCSWXCFNGER-UHFFFAOYSA-N
XLogP-1.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-1.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 2-methyl-3H-indazol-3-ide?
The IUPAC name of potassium 2-methyl-3H-indazol-3-ide (CID 177051291) is potassium 2-methyl-3H-indazol-3-ide.
What is the SMILES notation for potassium 2-methyl-3H-indazol-3-ide?
The canonical SMILES for potassium 2-methyl-3H-indazol-3-ide is Cn1[c-]c2ccccc2n1.[K+].
What is the InChIKey of potassium 2-methyl-3H-indazol-3-ide?
The InChIKey is LXURCSWXCFNGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N2.K/c1-10-6-7-4-2-3-5-8(7)9-10;/h2-5H,1H3;/q-1;+1.
What are the key properties of potassium 2-methyl-3H-indazol-3-ide?
potassium 2-methyl-3H-indazol-3-ide has a molecular weight of 170.26 g/mol, XLogP of -1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-methyl-3H-indazol-3-ide is sourced from PubChem (CID 177051291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).