potassium;methanolate;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;pyrazine-2-carbaldehyde

C12H16KN5O3 — CID 143802211

IUPACpotassium;methanolate;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;pyrazine-2-carbaldehyde
SMILESCNc1cn(C)c(C=O)n1.C[O-].O=Cc1cnccn1.[K+]
InChIInChI=1S/C6H9N3O.C5H4N2O.CH3O.K/c1-7-5-3-9(2)6(4-10)8-5;8-4-5-3-6-1-2-7-5;1-2;/h3-4,7H,1-2H3;1-4H;1H3;/q;;-1;+1
InChIKeyOISLZQBVSWLBHB-UHFFFAOYSA-N
MW317.39 g/mol
LogP-3.46
Rot. Bonds3

About potassium;methanolate;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;pyrazine-2-carbaldehyde

potassium;methanolate;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;pyrazine-2-carbaldehyde (PubChem CID 143802211) has the molecular formula C12H16KN5O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is potassium;methanolate;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;pyrazine-2-carbaldehyde.

Molecular Properties

Compound Namepotassium;methanolate;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;pyrazine-2-carbaldehyde
PubChem CID143802211
Molecular FormulaC12H16KN5O3
Molecular Weight317.39 g/mol
Exact Mass317.09
IUPAC Namepotassium;methanolate;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;pyrazine-2-carbaldehyde
SMILESCNc1cn(C)c(C=O)n1.C[O-].O=Cc1cnccn1.[K+]
InChIInChI=1S/C6H9N3O.C5H4N2O.CH3O.K/c1-7-5-3-9(2)6(4-10)8-5;8-4-5-3-6-1-2-7-5;1-2;/h3-4,7H,1-2H3;1-4H;1H3;/q;;-1;+1
InChIKeyOISLZQBVSWLBHB-UHFFFAOYSA-N
XLogP-3.46
TPSA112.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 5-3.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;methanolate;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;pyrazine-2-carbaldehyde?
The IUPAC name of potassium;methanolate;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;pyrazine-2-carbaldehyde (CID 143802211) is potassium;methanolate;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;pyrazine-2-carbaldehyde.
What is the SMILES notation for potassium;methanolate;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;pyrazine-2-carbaldehyde?
The canonical SMILES for potassium;methanolate;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;pyrazine-2-carbaldehyde is CNc1cn(C)c(C=O)n1.C[O-].O=Cc1cnccn1.[K+].
What is the InChIKey of potassium;methanolate;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;pyrazine-2-carbaldehyde?
The InChIKey is OISLZQBVSWLBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O.C5H4N2O.CH3O.K/c1-7-5-3-9(2)6(4-10)8-5;8-4-5-3-6-1-2-7-5;1-2;/h3-4,7H,1-2H3;1-4H;1H3;/q;;-1;+1.
What are the key properties of potassium;methanolate;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;pyrazine-2-carbaldehyde?
potassium;methanolate;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;pyrazine-2-carbaldehyde has a molecular weight of 317.39 g/mol, XLogP of -3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;methanolate;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;pyrazine-2-carbaldehyde is sourced from PubChem (CID 143802211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).