potassium (2-carbamimidoyl-5-methylpyrrol-1-yl)-methylazanide

C7H11KN4 — CID 170597255

IUPACpotassium (2-carbamimidoyl-5-methylpyrrol-1-yl)-methylazanide
SMILES[H]/N=C(\N)c1ccc(C)n1[N-]C.[K+]
InChIInChI=1S/C7H11N4.K/c1-5-3-4-6(7(8)9)11(5)10-2;/h3-4H,1-2H3,(H3,8,9);/q-1;+1
InChIKeyHPONIDUZIHMTDT-UHFFFAOYSA-N
MW190.29 g/mol
LogP-2.15
Rot. Bonds2

About potassium (2-carbamimidoyl-5-methylpyrrol-1-yl)-methylazanide

potassium (2-carbamimidoyl-5-methylpyrrol-1-yl)-methylazanide (PubChem CID 170597255) has the molecular formula C7H11KN4 and a molecular weight of 190.29 g/mol. Its IUPAC name is potassium (2-carbamimidoyl-5-methylpyrrol-1-yl)-methylazanide.

Molecular Properties

Compound Namepotassium (2-carbamimidoyl-5-methylpyrrol-1-yl)-methylazanide
PubChem CID170597255
Molecular FormulaC7H11KN4
Molecular Weight190.29 g/mol
Exact Mass190.06
IUPAC Namepotassium (2-carbamimidoyl-5-methylpyrrol-1-yl)-methylazanide
SMILES[H]/N=C(\N)c1ccc(C)n1[N-]C.[K+]
InChIInChI=1S/C7H11N4.K/c1-5-3-4-6(7(8)9)11(5)10-2;/h3-4H,1-2H3,(H3,8,9);/q-1;+1
InChIKeyHPONIDUZIHMTDT-UHFFFAOYSA-N
XLogP-2.15
TPSA68.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 5-2.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium (2-carbamimidoyl-5-methylpyrrol-1-yl)-methylazanide?
The IUPAC name of potassium (2-carbamimidoyl-5-methylpyrrol-1-yl)-methylazanide (CID 170597255) is potassium (2-carbamimidoyl-5-methylpyrrol-1-yl)-methylazanide.
What is the SMILES notation for potassium (2-carbamimidoyl-5-methylpyrrol-1-yl)-methylazanide?
The canonical SMILES for potassium (2-carbamimidoyl-5-methylpyrrol-1-yl)-methylazanide is [H]/N=C(\N)c1ccc(C)n1[N-]C.[K+].
What is the InChIKey of potassium (2-carbamimidoyl-5-methylpyrrol-1-yl)-methylazanide?
The InChIKey is HPONIDUZIHMTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N4.K/c1-5-3-4-6(7(8)9)11(5)10-2;/h3-4H,1-2H3,(H3,8,9);/q-1;+1.
What are the key properties of potassium (2-carbamimidoyl-5-methylpyrrol-1-yl)-methylazanide?
potassium (2-carbamimidoyl-5-methylpyrrol-1-yl)-methylazanide has a molecular weight of 190.29 g/mol, XLogP of -2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2-carbamimidoyl-5-methylpyrrol-1-yl)-methylazanide is sourced from PubChem (CID 170597255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).